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1.
On the crystal chemistry of three copper(II)-arsenates: Cu3(AsO4)2-III,Na4Cu(AsO4)2, and KCu4(AsO4)3
Herta Effenberger 《Monatshefte für Chemie / Chemical Monthly》1988,119(10):1103-1112
The three copper(II)-arsenates were synthesized under hydrothermal conditions; their crystal structures were determined by single-crystal X-ray diffraction methods:Cu3(AsO4)2-III:a=5.046(2) Å,b=5.417(2) Å,c=6.354(2) Å, =70.61(2)°, =86.52(2)°, =68.43(2)°,Z=1, space group
,R=0.035 for 1674 reflections with sin / 0.90 Å–1.Na4Cu(AsO4)2:a=4.882(2) Å,b=5.870(2) Å,c=6.958(3) Å, =98.51(2)°, =90.76(2)°, =105.97(2)°,Z=1, space group
,R=0.028 for 2157 reflections with sin / 0.90 Å–1.KCu4(AsO4)3:a=12.234(5) Å,b=12.438(5) Å,c=7.307(3) Å, =118.17(2)°,Z=4, space group C2/c,R=0.029 for 1896 reflections with sin / 0.80 Å–1.Within these three compounds the Cu atoms are square planar [4], tetragonal pyramidal [4+1], and tetragonal bipyramidal [4+2] coordinated by O atoms; an exception is the Cu(2)[4+1] atom in Cu3(AsO4)2-III: the coordination polyhedron is a representative for the transition from a tetragonal pyramid towards a trigonal bipyramid. In KCu4(AsO4)3 the Cu(1)[4]O4 square and the As(1)O4 tetrahedron share a common O—O edge of 2.428(5) Å, resulting in distortions of both the CuO4 square and the AsO4 tetrahedron. The two Na atoms in Na4Cu(AsO4)2 are [6] coordinated, the K atom in KCu4(AsO4)3 is [8] coordinated by O atoms.Die drei Kupfer(II)-Arsenate wurden unter Hydrothermalbedingungen gezüchtet und ihre Kristallstrukturen mittels Einkristall-Röntgenbeugungsmethoden ermittelt:Cu3(AsO4)2-III:a = 5.046(2) Å,b = 5.417(2) Å,c = 6.354(2) Å, = 70.61 (2)°, = 86.52(2)°, = 68.43(2)°,Z = 1, Raumgruppe
,R = 0.035 für 1674 Reflexe mit sin / 0.90 Å–1.Na4Cu(AsO4)2:a = 4.882(2) Å,b = 5.870(2) Å,c = 6.958(3) Å, = 98.51(2)°, = 90.76(2)°, = 105.97(2)°,Z = 1, Raumgruppe
,R = 0.028 für 2157 Reflexe mit sin / 0.90 Å–1.KCu4(AsO4)3:a = 12.234(5) Å,b = 12.438(5) Å,c = 7.307(3) Å, = 118.17(2)°,Z = 4, Raumgruppe C2/c,R = 0.029 für 1896 Reflexe mit sin / 0.80 Å–1.Die Cu-Atome in diesen drei Verbindungen sind durch O-Atome quadratisch planar [4], tetragonal pyramidal [4 + 1] und tetragonal dipyramidal [4 + 2]-koordiniert; eine Ausnahme ist das Cu(2)[4 + 1]-Atom in Cu3(AsO4)2-III: Das Koordinationspolyeder stellt einen Vertreter des Übergangs von einer tetragonalen Pyramide zu einer trigonalen Dipyramide dar. In KCu4(AsO4)3 haben das Cu(1)[4]O4-Quadrat und das As(1)O4-Tetraeder eine gemeinsame O—O-Kante von 2.428(5) Å, was eine Verzerrung der beiden Koordinationsfiguren CuO4-Quadrat und AsO4-Tetraeder bedingt. Die zwei Na-Atome in Na4Cu(AsO4)3 sind durch O-Atome [6]-koordiniert, das K-Atom in KCu4(AsO4)3 ist [8]-koordiniert.
Zur Kristallchemie dreier Kupfer (II)-Arsenate: Cu3(AsO4)2-III, Na4Cu(AsO4)2 und KCu4(AsO4)3相似文献
2.
Summary The title compound [W3C3S4{S2P(OEt)2}3(I)(2
–PhCO2)(MeCN)] crystallized in triclinic system with space group P1 and cell dimensiona=11.645(6),b=18.565(2),c=11.292(7)Å, =96.15(3)°, =113.65(3)°, =93.77(3)°, V=2207.6Å3, Z=2, Mr=1588.09, Dc=2.39 g cm–3. MoK radiation, =0.71073 Å, =97.3 cm–1, F(000)=1488, R=0.042 for 5588 observed unique reflections I3(I). There are some distortions in the cubane-like W3CuS4 core, with three W-W bonds and three weak W-Cu bonds. Two W atoms are coordinated by PhCO2 bridge ligand, the other W atom is coordinated to the N atom of MeCN. 相似文献
3.
Summary Crystals of monoclinic Fe2(SeO4)3 were synthesized under hydrothermal conditions. The structure was determined by single crystal X-ray methods and refined in space group P21/n with 2 646 independent reflections (sin /<0.7 Å–1) toR=0.033,R
w=0.037:a=8.530 (2) Å,b=8.888 (2) Å,c=11.952 (2) Å, =91.13 (1)°,V=906.0 Å3,Z=4. The crystal structure is isotypic with the monoclinic modification of Fe2(SO4)3, containing two different Fe(III) and three Se(VI) atomic positions. The FeO6 and SeO4 polyhedra are only slightly distorted, the mean Fe-O bond lengths are 1.986 Å and 2.004 Å, the average distances within the SeO4 tetrahedra are each 1.628 Å. The isolated FeO6 octahedra only share corners with SeO4 tetrahedra to build a framework structure.
Synthese und Kristallstruktur von monoklinem Fe2(SeO4)3
Zusammenfassung Kristalle von monoklinem Fe2(SeO4)3 wurden unter Hydrothermalbedingungen gezüchtet. Die Struktur wurde mit Einkristall-Röntgenmethoden bestimmt und in der Raumgruppe P21/n mit 2 646 unabhängigen Reflexen (sin /<0.7Å–1) aufR=0.033,R w=0.037 verfeinert:a=8.530(2) Å,b=8.888(2) Å,c=11.952(2) Å, =91.13(1)°,V=906.0 Å3,Z=4. Die Kristallstruktur ist isotyp mit der monoklinen Modifikation von Fe2(SO4)3, sie enthält zwei unterschiedliche Fe(III) und drei Se(VI) Atompositionen. Die FeO6-Polyeder sind nur gering verzerrt, die mittleren Fe-O Bindungslängen sind 1.986 Å und 2.004 Å, die mittleren Abstände in den SeO4-Tetraedern sind jeweils 1.628 Å. Die isolierten FeO6-Oktaeder sind nur über gemeinsame Ecken mit SeO4-Tetraedern verbunden, wobei eine Gerüststruktur entsteht.相似文献
4.
Two novel heterometallic cubane-like and double cubane-like clusters, {MoCu3S3(S2COEt)}(O)(Ph3P)3
I and {Mo2Cu6S6(SCMe3)2}(O)2(Ph3P)4
II, were synthesized by reaction of {MoCu2S3}(O)(Ph3P)3 with CuS2COEt and CuSCMe3, respectively. ClusterI crystallized in the triclinic space group
(2) witha=12.766(6) Å,b=22.904(5) Å,c=10.522(3) Å, =99.86(2)°, =109.68(2)°, =86.84(3)°,V=2854(2) Å3,Z=2,R=0.049 for 6622 observed reflections (I>5(I)) and 410 variables. ClusterII crystallized in the triclinic space group
(2) with dimensionsa=14.212(4) Å,b=14.725(5) Å,c=12.396(8) Å, =110.32(4)°, =90.40(5)°, =62.88(2)°,V=2129(2) Å3,Z=1,R=0.039 for 6020 observed reflections (I>3(I)) and 461 variables. ClusterI consists of a neutral cubane-like molecule with the core {MoCu3S3(S2COEt)}2+, in which one corner of the cubane-like core is a novel triply bridging bidentate 1,1-dithiolato (xanthate, S2COEt–) ligand. ClusterII is a double cubane-like one, in which two cubane-like cores {MoCu3S3(SCMe3)}2+ are connected by two Cu-S bonds of the triply bridging monothiolato (SCMe
3
–
) ligand. Two different pathways of unit construction from a small heterometallic cluster {MoCu2S3}(O)(Ph3P)3 have been outlined. Comparisons of the selected bond lengths and bond angles for the cubane-like core {MoCu3S3
X} (X=Cl–, Br–, S2COEt–, SCMe
3
–
) are given. Spectroscopic properties of the title clusters are also reported. 相似文献
5.
Stash A. I. Perepelkova T. I. Noskov Yu. G. Buslaeva T. M. Romm I. P. 《Russian Journal of Coordination Chemistry》2001,27(8):585-590
Palladium clusters Pd4(SEt)4(OAc)4(I) and Pd6(SEt)12(II) were synthesized and studied. Their structure was determined by X-ray diffraction analysis. For I, a= 9.774(2) Å, b= 10.821(2) Å, c= 13.061(3) Å, = 92.88(3)°, V= 1379.6(5) Å3, (calcd.) = 2.182 g/cm3, space group P21/n, Z= 4, N
ref= 1558, and R= 0.031; for II, a= 10.581(1) Å, b= 10.584(2) Å, c= 11.478(2) Å, = 101.62(1)°, = 104.95(1)°, = 106.74(1)°, V= 1135.2(4) Å3, (calcd) = 2.007 g/cm3, space group P1, Z= 1, N
ref= 2828, and R= 0.022. In cluster I, four Pd atoms form a planar cycle. The neighboring palladium atoms are bound by two acetate or by two mercaptide bridges, the Pd···Pd distances being 3.036–3.195 Å. In cluster II, Pd atoms form a planar six-membered cycle with Pd···Pd distances of 3.083–3.127 Å. The neighboring palladium atoms are bound by two mercaptide bridges. The formation of analogous clusters in solution was confirmed by IR spectroscopy. 相似文献
6.
Ferdinand Belaj Christoph Kratky Edgar Nachbaur Alois Popitsch 《Monatshefte für Chemie / Chemical Monthly》1987,118(4):427-433
X-ray crystal structure analyses of sulfamide were carried out at 293 K and at 100 K:M=96.10, orthorhombic, Fdd2,Z=8,F(000)=400, Mo K, =0.71069 Å (graphite monochromator). A) 293 K:a=9.127 (1) Å,b=16.857 (5) Å,c=4.579 (1) Å,V=704.50 Å3,d
x
=1.812 Mgm–3, =0.648 mm–1,R=1.77%,R
w
=1.94% (384 reflections, 33 parameters). B) 100K:a=9.059 (1) Å,b=16.780 (8) Å,c=4.517 (1) Å,V=686.63 Å3,d
x
=1.859 Mgm–3, =0.665 mm–1,R=1.78%,R
w
=1.95% (404 reflections, 33 parameters). The sulfamide molecule shows at 293 K S-O and S-N distances of 1.429 (1) Å and 1.620 (1) Å, respectively, which are in agreement with IR data. Hydrogen positions could be determined from differenceFourier syntheses. Strong weakening of some intense low order reflections by extinction was observed, their anisotropy depends on the crystal and on temperature. 相似文献
7.
Summary Crystal structures have been determined for two nickel complexes of the monodentate S-donating ligand 1-methyl imidazoline-2(3H)-thione (mimtH). The parainagnetic trans-octahedral complex, [Ni(mimtH)4Cl2], crystallises in an orthorhombic unit cell (a=12.459(1),b=13.078(1),c=15.406(1)Å, V=2510.24Å3,Z=4, space group Pbca). Final conventional R from 1848 observed data [F>4(F)] is 0.0273. The Ni–Cl distance is. 2.537(1) Å and the mean Ni–S distance is 2.479 Å.The diamagnetic complex, [Ni(mimtH)4](BF4)2, contains a distorted square-planar cation which is H-bonded. to [BF4]– anions. The complex crystallises in an orthorhombic unit cell [a=9.810(1),b=14.585(1),c=20.120(2)Å, V=2878.8Å3,Z=4, space group Pbcn]. Final conventional R from 1756 observed data [F>4(F)] is 0.0629. The average Ni–S distance is 2.216Å. 相似文献
8.
X-ray crystal structure analyses of (CH3NCO)3 (M) and (ClNCO)3·1/2C2H4Cl2 (C) were carried out at room temperature (MoK, graphite monochromator, =0.71069 Å): 1.M=171.16, monochlinic, P21/c,a=14.848 (1) Å,b=13.400 (2) Å,c=8.149 (1) Å, =100.87 (1)°,V=1 592.3 Å3,Z=8,F(000)=720,d
x
=1.428 Mgm–3, =76m–1,R=6.51%,R
w
=7.01% (964 reflections, 218 parameters). 2.M=281.89, monochlinic, P 21/c,a=9.416 (3) Å,b=5.728 (1) Å,c=18.199 (8) Å, =98.64 (2)°,V=970.4 Å3,Z=4,F(000)=556,d
x
=1.929 Mgm–3, =1.11 mm–1,R=3.96%,R
w
=3.44% (605 reflections, 132 parameters). The ring systems together with the C atoms of the methyl groups in (M) and with the Cl atoms in (C) are planar and have D3h-symmetry. Bond lengths and bond angles are discussed with regard to14N-NQR,35Cl-NQR and vibrational spectroscopic data. 相似文献
9.
Ferdinand Belaj Christoph Kratky Edgar Nachbaur Alois Popitsch 《Monatshefte für Chemie / Chemical Monthly》1987,118(1):19-23
A crystal structure analysis of the colourless AgSO3NH2 was carried out at room temperature:M=203.95, orthorhombic, Pcab,a=7.809 (2) Å,b=8.067 (2) Å,c=11.682 (3) Å,V=735.9 Å3,Z=8,d
x=3.681 Mgm–3,F(000)=760, Mo K, =0.71069 Å (graphite monochromator), =5.77 mm–1,R=4.36% (509 reflections, 56 parameters). The ionic structure shows approximate trigonal bipyramidal coordination around the Ag+-ions. 相似文献
10.
G. Giester 《Monatshefte für Chemie / Chemical Monthly》1996,127(4):347-354
Summary The new synthetic compound ZnFe
2
3+
(SeO3)4 forms at low-hydrothermal conditions at 220 °C. It belongs to the monoclinic system; the structure was determined by single-crystal X-ray diffraction in the space group Pc. The unit cell data are:a=8.196(4) Å,b=7.997(4) Å,c=8.033(4) Å, =92.27(3)°,V=526.1 Å3;Z=2. The structure of ZnFe
2
3+
(SeO3)4 contains two types of FeO6 octahedra, one distorted ZnO5 trigonal bipyramid, and four selenite groups. Formal clusters consisting of the ZnO5 group, edge-linked with both FeO6 groups and one SeO3 pyramid, are connected by common corners, involving three further selenite groups to a framework structure.
Die Kristallstruktur von ZnFe 2 3+ (SeO3)4
Zusammenfassung Die neue synthetische Verbindung ZnFe 2 3+ (SeO3)4 bildet sich bei niedrighydrothermalen Bedingungen (220°C). Die Kristallstruktur wurde mit Einkristallröntgenmethoden in der monoklinen Raumgruppe Pc gelöst. Die Zellparameter sind:a=8.196(4) Å,b=7.997(4) Å,c=8.033(4) Å, =92.27(3)°,V=526.1 Å3;Z=2. Die Kristallstruktur von ZnFe 2 3+ (SeO3)4 weist zwei Arten von FeO6-Oktaedern, eine verzerrte trigonale ZnO5-Dipyramide sowie vier Selenitgruppen auf. Formal können Cluster, bestehend aus dem ZnO5-Polyeder, kantenverknüpft mit den beiden FeO6-Gruppen sowie einer SeO3-Pyramide, beschrieben werden. Die Verknüpfung über Ecken zu einer Gerüststruktur erfolgt unter Beteiligung von drei weiteren Selenitgruppen.相似文献
11.
Syntheses within the system CuO-SeO2-H2O revealed four copper(II)-oxo-selenites. The crystal structures of these compounds were determined by single crystal X-ray techniques. Chemical formulae, lattice parameters and space groups are: Cu2O(SeO3)-I [a=8.925 (1) Å, P213], Cu2O(SeO3)-II [a=6.987 (5) Å,b=5.953 (4) Å,c=8.429 (6) Å, =92.17 (3)°, P21/n], Cu4O(SeO3)3-I [a=15.990 (8) Å,b=13.518 (8) Å,c=17.745 (12) Å, =90.49 (5)°, P21/a], and Cu4O(SeO3)3-II [a=7.992 (6) Å,b=8.141 (6) Å,c=8.391 (6) Å, =77.34 (3)°, =65.56 (3)°, =81.36 (3)°,
].All the Cu atoms are-with one exception-[4], [4+1], and [4+2] coordinated by O atoms. The four nearest O atoms are more or less distorted square planar arranged. Within the CuO4 squares the Cu-O bond lengths are significantly shorter for the [4] coordinated O atoms as compared with those of the [4+1] and [4+2] coordinated Cu atoms. The exception in the coordination of the Cu atoms is the Cu(1) atom in Cu2O(SeO3)-I with the site symmetry 3, which is trigonal dipyramidal [5] coordinated. A common feature of these four crystal structures is, that O atoms outside the SeO3 groups are tetrahedrally coordinated by four Cu(II) atoms. The Se atoms are as usual [3] coordinated, building up SeO3 pyramids. In all these four compounds the copper-oxygen polyhedra are combined to a three-dimensional network. 相似文献
12.
Summary Chloro(N-ethyl-1,3-imidazolidine-2-thione)gold(II) crystallizes in the triclinic space group P¯I with cell dimensions:a=7.213(2)Å,b=7.857(7)Å,c=9.056(3)Å, =108.54°, =100.06(3)°, =107.27(4)° and Z=2.,The structure was refined by a least squares method to a conventional R factor of 7.3%, using 2157 reflections. The metal atom is bonded through the sulfur atom of the ligand which is consistent with the13C n.m.r. spectra of the complexes in d6-acetone. The structure of the complex and coordination around metal are compared with other linear gold(I) complexes. 相似文献
13.
Zusammenfassung Polybutylenterephthalat (PBT) gewinnt als Spritzgußmaterial und als Faserrohstoff zunehmend an Bedeutung. Die thermischen und mechanischen Eigenschaften des PBT sind von denen des Polyäthylenterephthalates (PET) erheblich abweichend. Die vorliegende Arbeit soll einen Beitrag liefern, die abweichenden Ergebnisse deuten zu können.Deswegen wurden die Gitterzelle und die Kettenanordnung im Kristallverband des PBT untersucht. Aus Röntgenmessungen ergaben sich die folgenden Gitterzellenparameter:a=4,83 Å,b=6,05 Å,c=11,45 Å,=100,5°,=117°,=110,8°.Damit ergibt sich eine Kristalldichte von=1,433 g/cm3 im Vergleich zu=1,515 g/cm3 beim PET.Mit der Annahme einer abgewinkelten Kettenkonformation kann in befriedigender Weise die verkürzte Faseridentitätsperiode und die gegenüber dem PET verlängerte Zellenkante a des PBT erklärt werden.
Summary Polybutylenterephthalate (PBT) is a new molding and fibre spinning material for industrial applications. The thermal and mechanical properties of PBT are quite different from those of polyethyleneterephthalate (PET).The unit cell of PBT was found by X-ray diffraction studies to be triclinic, similar to that of PET, but having the parameters:a=4.83 A,b=6.05 Å,c=11.45 Å,a=100.5°=117°,=110.8°. This gives a crystalline density of=1,433 g/cm3 compared with=1.515 g/cm3 for PET.Since a completely extended PBT chain would theoretical have a repeat length of 13.25 Å the above unit cell requires a kinked chain conformation. The increaseda axis dimension, in comparison to PET would be in agreement with this conclusion.相似文献
14.
Gerald Giester 《Monatshefte für Chemie / Chemical Monthly》1991,122(4):229-234
Summary The crystal structure of synthetic Cu3SeO4(OH)4 was determined by single crystal X-ray methods:a=8.382 (2) Å,b=6.087 (1) Å,c=12.285 (2) Å,V=626.8 Å3,Z=4, space group Pnma,R=0.026,R
w
=0.021 for 1255 independent reflections (sin / 0.8 Å–1). The crystal structure is isotypic to that of the mineral antlerite, Cu3SO4(OH)4. The copper atoms are Jahn-Teller distorted with Cu[4+2]O6 polyhedra forming triple chains along [010]. These chains are linked via SeO4 tetrahedra and weak hydrogen bonds to a framework structure.
Die Kristallstruktur von synthetischem Cu3SeO4(OH)4
Zusammenfassung Die Kristallstruktur von synthetischem Cu3SeO4(OH)4 wurde mittels Einkristall-Röntgenmethoden ermittelt:a=8.382 (2) Å,b=6.087 (1) Å,c=12.285 (2) Å,V=626.8 Å3,Z=4, Raumgruppe Pnma,R=0.026,R w =0.021 für 1255 unabhängige Reflexe (sin / 0.8 Å–1). Die Kristallstruktur ist isotyp mit der des Minerals Antlerit, Cu3SO4(OH)4. Die Kupferatome sind Jahn-Teller-verzerrt, die Cu[4+2]O6 Polyeder bilden Dreierketten entlang [010]. Diese Ketten sind über SeO4-Tetraeder und schwache Wasserstoffbrücken zu einer Gerüststruktur verbunden.相似文献
15.
J. M. Fernández J. J. Lembrino-Canales R. Villena 《Monatshefte für Chemie / Chemical Monthly》1994,125(3):275-284
Summary The Schiff base ligands, 3-[(Phenyl)-2-hydroxy-3H-Naphth-3-ylidene)methyl]aldamine (1) and 3-[(benzene-4-trifluoromethyl)-2-hydroxy-3H-naphth-3-ylidene)methyl]aldamine (2), and their corresponding Cu(II) complexes (I andII were synthesized. The crystal and molecular structures ofI andII were determined. CompoundI crystallizes in the triclinic crystal systema=10.804(5),b=12.589(5), andc=10.369(3) (Å), =107.72(3), =95.75(3), and =76.32(4)(°), in the space group P
withZ=2. CompoundII crystallizes in the triclinic crystal systema=10.718(2),b=13.861(4), andc=10.110(9) (Å), =95.99(2), =90.16(2), and =93.90(2)(°), in the space group P
withZ=2. The geometry around the metal atom in both complexesI andII is square planar.
Kupfer(II)-Komplexe von Schiffbasen von 2-Hydroxy-3-naphthaldehyd. Die Kristall-und Molekülstrukturen von Bis{(phenyl)[(2-oxo-3H-naphth-3-yliden)methyl]aminato}kupfer(II) und Bis{(benzen-4-trifluoromethyl)[(2-oxo-3H-naphth-3-yliden)methyl]aminato}kupfer(II)
Zusammenfassung Es wurden die Schiffbasen-Liganden 3-[(Phenyl)-2-hydroxy-3H-naphth-3-yliden)-methyl]aldamin (1) und 3-[(Benzen-4-trifluoromethyl)-2-hydroxy-3H-naphth-3-yliden)-methyl]aldamin (2) inklusive der entsprechenden Kupfer(II)-KomplexeI undII dargestellt. VonI undII wurden die Kristallstrukturen ermittelt. KomplexI kristallisiert im triklinen System mita=10.804(5),b=12.589(5),c=10.369(3) Å, =107.72(3), =95.75(3) und =76.32(4)° in der Raumgruppe P mitZ=2. VerbindungII kristallisiert ebenfalls im triklinen System mita=10.718(2),b=13.861(4),c=10.110(9) Å, =95.99(2), =90.16(2) und =93.90(2)° in der Raumgruppe P mitZ=2. Die Geometrie rund um Cu ist in beiden Komplexen quadratisch-planar.相似文献
16.
Crystals of (C2H5)4N+ CH3COOO– · 4H2O crystallize in space groupP , witha=12.327(2),b=17.196(6),c=8.753(3) Å, =94.28(2), =91.09(2), =120.30(2)°, andZ=4. The structure was solved by direct methods and refined toR
F
-0.060 for 4803 MoK data. In the crystal structure, ordered (C2H5)4N+ cations are sandwiched between puckered layers of hydrogen-bonded water molecules and acetate anions. Each wateranion layer is constructed from an edge-sharing assembly of six independent, irregular, and non-planar polygons (two nonagons, two hexagons and two pentagons). All protons in the scheme of hydrogen bonding are uniquely located.
Supplementary Data relating to this article are deposited with the British Library as Supplementary Publication No. SUP 82036 (33 pages).Dedicated to Professor G. A. Jeffrey on the occasion of his retirement. 相似文献
17.
Ferdinand Belaj Christoph Kratky Edgar Nachbaur Alois Popitsch 《Monatshefte für Chemie / Chemical Monthly》1987,118(8-9):947-954
An X-ray crystal structure analysis of yellow Ag3SO3N · H2O was carried out at room temperature:M=435.69, monoclinic, P21/n,a=11.628 (5) Å,b=8.058 (4) Å,c=12.034 (5) Å, =86.49 (3)°,V=1125.5 Å3,Z=8,d
x
=5.142 Mgm–3, MoK, =0.71069 Å (graphite monochromator), =10.5 mm–1,R=5.44%,R
w
=5.85% (877 reflections, 118 parameters). The structure contains Ag planes with Ag-Ag distances shorter than in metallic silver. The nitrogen atoms of the SO3N anion are covalently bonded to 4Ag atoms of these Ag planes, thus assuming the extraordinary coordination number of 5. The five crystallographically independent Ag atoms forming the Ag planes have approximate linear N-Ag-N coordination. In addition, the structure contains two Ag atoms which are ionically coordinated to 4 resp. 5O atoms of SO3N and water. The colour-structure correlation of Ag(I) compounds with colourless anions is discussed.
Herrn Prof. Dr. mult.V. Gutmann zum 65. Geburtstag gewidmet. 相似文献
18.
Summary [MoCu3S3Br(SCH2CH2S)(PPh3)3]·MeCN, MW=1382.78, space group Pl, has the triclinic cell parametersa=12.272(11),b=13.172(7),c=20.363(3)Å, =106.26(3)o, =95.64(5)o, =65.79(6)o; Z=2, V=2881.4Å3. Dc=1.55 g cm–3. MoK radiation. =0.71073Å, =22.8 cm–1. F(000)=1348. R=0.69 for 4964 observed unique reflections [I>3(I)]. There are some distortions in the cubane-like MoCu3S3Br core, with three form Mo–Cu bonds. The Mo atom is bound by chelating SCH2CH2S and three 3-S atoms. 相似文献
19.
Kaziev G. Z. Quinones Saul O. Bel'skii V. K. Zavodnik V. I. Osminkina I. V. De Ita Antonio 《Russian Journal of Coordination Chemistry》2002,28(6):384-388
Isostructural crystals of aluminum hexamolybdenocobaltate(III) and hexamolybdenocromate(III) Al[MMo6O18(OH)6] · 16H2O (M = Co(III) and Cr(III)) were studied using X-ray diffraction analysis. These compounds crystallize in the triclinic system: space group P
, Z = 1, (calcd) = 2.665 and 2.611 g/cm3, respectively. The unit cell parameters were determined: for aluminum hexamolybdenocobaltate(III), a = 6.796(1) Å, b= 11.248(2) Å, c = 11.568(2) Å; = 101.36(2)°, = 96.95(2)°, = 102.23(2)°; for aluminum hexamolybdenocromate(III), a = 6.838(1) Å, b = 11.312(2) Å, c = 11.605(2) Å; = 101.29(3)°, = 97.13(3)°, = 102.15(3)°. 相似文献
20.
Single Crystal Growth,Crystal Structure and Thermal Behaviour of Mercury(II) Pyrophosphate Dihydrate
Summary. Colourless single crystals of Hg2P2O7(H2O)2 up to 0.4 mm in length were grown by a diffusion technique starting from aqueous solutions of Na4P2O7 and Hg(NO3)2. The crystal structure is isotypic with that of Ca2P2O7(H2O)2 and was determined from a four-circle diffractometer data set (space group
, Z=2, a=6.9374(7), b=7.4396(8), c=7.9863(7)Å, =84.685(8), =75.158(8), =72.818(8)°, 2413 structure factors, 132 parameters, R[F
2>2(F
2)]=0.0181, wR(F
2 all)= 0.0384). Hg2P2O7(H2O)2 is composed of approximately eclipsed P2O7
4– anions and distorted [HgO6] octahedra and [HgO7] pentagonal bipyramids as the main building units. The structure is stabilized by inter-water hydrogen bonding and by hydrogen bonding between terminal pyrophosphate oxygen atoms and the water molecules. The P–O distances to the terminal oxygen atoms range from 1.501(4) to 1.536(3)Å, with an average of 1.522Å; the mean distance of 1.615Å to the bridging O atom is considerably longer with an (O–P–O) bridging angle of 123.44(19)°. Both Hg atoms have two short Hg–O bonds around 2.17Å and additional bonds ranging from 2.381(3) to 2.708(4)Å. Upon heating above 160°C, both crystal water molecules are released simultaneously and anhydrous Hg2P2O7 is formed which is stable up to ca. 660°C. Above this temperature the material decomposes completely. 相似文献