Synthese und Kristallstruktur von Sr2Zn(OH)6 und Ba2Zn(OH)6

Synthesis and Crystal Structure of Sr₂Zn(OH)₆ and Ba₂Zn(OH)₆ Crystallization from supersaturated sodium hydroxozincate solutions by adding solutions of alkali earth metal hydroxides yields crystals of Sr₂Zn(OH)₆ and Ba₂Zn(OH)₆. The X-ray structure determination on these crystals was successful including all hydrogen positions: Sr₂Zn(OH)₆: P2₁/n, Z = 2, a = 5.794(1) Å, b = 6.160(1) Å, c = 8.141(1) Å, b = 91.23(1)°, N(F ³° 2σ F) = 1127, N(Var.) = 53, R₁/wR₂ = 0.047/0.081Ba₂Zn(OH)₆: P2₁/n, Z = 2, a = 6.043(1) Å, b = 6.336(1) Å, c = 8.451(2) Å, b = 91.23(2)°, N(F ° 2σ F) = 1669, N(Var.) = 54, R₁/wR₂ = 0.029/0.067. Sr₂Zn(OH)₆ and Ba₂Zn(OH)₆ crystallize isotypic in a distorted Li₂O structure type. Sr²⁺ resp. Ba²⁺ form a cubic primitive arrangement. Distorted octahedra of OH^– around Zn²⁺ fill therein alternating cubic gaps in an ordered way.     

Darstellung,Kristallstrukturen und Schwingungsspektren von [(Mo6X)Y]2–; Xi = Cl,Br; Ya = NO3, NO2

Synthesis, Crystal Structures, and Vibrational Spectra of [(Mo₆X)Y]^2–; Xⁱ = Cl, Br; Y^a = NO₃, NO₂ By treatment of [(Mo₆X)Y]^2–; Xⁱ = Y^a = Cl, Br with AgNO₃ or AgNO₂ by strictly exclusion of oxygene in acetone the hexanitrato and hexanitrito cluster anions [(Mo₆X)Y]^2–, Y^a = NO₂, NO₃ are formed. X-ray structure determinations of (Ph₄As)₂[(Mo₆Cl)(NO₃)] · 2 Me₂CO ( 1 ) (monoclinic, space group P2₁/n, a = 12.696(3), b = 21.526(1), c = 14.275(5) Å, β = 115.02(2)°, Z = 2), (n-Bu₄N)₂[(Mo₆Br)(NO₃)] · 2 CH₂Cl₂ ( 2 ) (monoclinic, space group P2₁/n, a = 14.390(5), b = 11.216(5), c = 21.179(5)Å, β = 96.475(5)°, Z = 2) and (Ph₄P)₂[(Mo₆Cl)(NO₂)] (3) (monoclinic, space group P2₁/n, a = 11.823(5), b = 13.415(5), c = 19.286(5) Å, β = 105.090(5)°, Z = 2) reveal the coordination of the ligands via O atoms with (Mo–O) bond lengths of 2.11–2.13 Å, and (MoON) angles of 122–131°. The vibrational spectra of the nitrato compounds show the typical innerligand vibrations ν_as(NO₂) (∼ 1500), ν_s(NO₂) (∼ 1270) and ν(NO) (∼ 980 cm^–1). The stretching vibrations ν(N=O) at 1460–1490 cm^–1 and ν(N–O) in the range of 950–1000 cm^–1 are characteristic for nitrito ligands coordinated via O atoms.     

Darstellung,Kristallstrukturen und Schwingungsspektren von [OsBr(acac)(PPh3)] und [OsBr(acac)(AsPh3)]

Synthesis, Crystal Structures, and Vibrational Spectra of [OsBr(acac)(PPh₃)] and [OsBr(acac)(AsPh₃)] By reaction of tetrabromoacetylacetonatoosmate(IV) with PPh₃ or AsPh₃ in ethanol the complexes [OsBr(acac)(PPh₃)] ( 1 ) and [OsBr(acac)(AsPh₃)] ( 2 ) are formed, which are purified by chromatography on silica gel. X-ray structure determinations of single crystals of ( 1 ) (monoclinic, space group P 2₁/n, a = 13.035(2), b = 18.2640(14), c = 16.636(3) Å, β = 112.776(14)°, Z = 4) and ( 2 ) (monoclinic, space group P 2₁/c, a = 13.23(5), b = 18.35(2), c = 16.65(2) Å, β = 112.9(5)°, Z = 4) result in mean bond distances Os–P = 2.413, Os–As = 2.483, Os–Br = 2.488 and Os–O = 2.037 Å. The vibrational spectra (10 K) exhibit the inner ligand vibrations of the acac, PPh₃ and AsPh₃ groups with nearly constant frequencies and the stretching vibrations of OsP at 499–522, of OsAs at 330–339, of OsBr at 213–214 and of OsO in the range 460–694 cm^–1.     

Rapid and Simple Isolation of the Crystalline Molybdenum-Blue Compounds with Discrete and Linked Nanosized Ring-Shaped Anions: Na15[MoMoO462H14(H2O)70]0.5 [MoMoO457H14(H2O)68]0.5 · ca. 400 H2O and Na22[MoMoO442H14(H2O)58] · ca. 250 H2O

The blue mixed-crystal title compound Na₁₅[MoMoO₄₆₂H₁₄ (H₂O)₇₀]_0.5[MoMoO₄₅₇H₁₄ · (H₂O)₆₈]_0.5 · ca. 400 H₂O ≡ Na₁₅[ 1 a ]_0.5[ 1 b ]_0.5 · ca. 400 H₂O 1 , which crystallizes in the triclinic space group P 1 (a = 30.785(2), b = 32.958(2), c = 47.318(3) Å, α = 90.53(1), β = 89.86(1), γ = 96.85(1)°, V = 47665(6) ų, Z = 2, D_calc = 2.149 g cm^–3), precipitates within one day when an acidic (pH ≈ 1) aqueous solution of sodium molybdate (because of the extremely high solubility of the reaction product used in relatively high concentration) is reduced by sodium dithionite. 1 contains hitherto unknown pure molybdenum-oxide based, nanosized, ring-shaped, crystallographically independent cluster anions of the type {Mo₁₅₄} 1 a and {Mo₁₅₂} 1 b , the lacunary-type analogue of 1 a . Using the same reducing agent but in the presence of a reagent with a high affinity to the specific {Mo₂}-type building unit (also a leaving group) of 1 a , such as formic acid, the compound Na₂₂[MoMoO₄₄₂H₁₄(H₂O)₅₈] · ca. 250 H₂O 2 (space group P 1, a = 24.724(1), b = 35.726(2), c = 44.608(3) Å, α = 93.25(1), β = 93.51(1), γ = 106.72(1)°, V = 37552(4) ų, Z = 2, D_calc = 2.401 g cm^–3) is obtained in which the giant rings, having four missing {Mo₂} units compared to 1 a , are linked to chains. Until now, similar chain-type compounds could only be obtained using a non-well-defined synthetic method.     

Synthese und Struktur des ersten ternären Blei(II)-Oxocuprats(I): PbCu2O2

Synthesis and Structure of the First Ternary Lead(II) Copper(I) Oxide: PbCu₂O₂ PbCu₂O₂ can be prepared by solid state reaction or by precipitation from a basic aqueous solution. Single crystals of the new compound were prepared by recrystallisation from a molten mixture (PbO? Cu₂O) and investigated by X-ray diffractometer technique. PbCu₂O₂ crystallizes isotypically with the homologue silver compound PbAg₂O₂ (monoclinic with a = 8.22₃ Å, b = 8.28₉ Å, c = 6.01₅ Å, β = 132.6₂°, Z = 4, space group C? C 1 2/c 1). The crystallographic data from the X-ray investigation are reported. The structure is built by endless [PbO_4/4]- and [CuO_2/4]-chains. Pb²⁺ has a one-sided asymmetric coordination with four next oxygen neighbours and Cu⁺ forms a stretched dumbbell with two oxygen atoms.     

Zur Kristallchemie der Kupfer-Lanthanoid-Oxowolframate: (I) triklin-α-CuTbW2O8, (II) monoklin-CuInW2O8 und (III) monoklin-CuYW2O8

The Crystal Chemistry of Copper Rare-Earth Oxotungstates: (I): triclinic-α-CuTbW₂O₈, (II): monoclinic-CuInW₂O₈ and (III): monoclinic-CuYW₂O₈ Single crystals of (I), (II) and (III) were prepared by recrystallisation in closed systems and examined by X-ray technique. (I): space group C? P1 , a = 7.3080, b = 7.8945, c = 7.1476 Å, α = 115.23, β = 116.21, γ = 56.98°, Z = 2; (II): space group C? C2/c, a = 9.6576, b = 11.6496, c = 4.9863 Å, β = 91.17°, Z = 4; (III): space group C? P2/n, a = 10.0504, b = 5.8214, c = 5.0224 Å, β = 94.23°, Z = 2. The crystal structures are discussed with respect to calculations of the coulombterms of lattice energy and possible valence states of Cu²⁺ and Mo⁵⁺.     

Zur Kristallstruktur von CaZn2(OH)6 · 2 H2O

Crystal Structure of CaZn₂(OH)₆ · 2 H₂O The electrochemical oxidation of zinc in a zinc/iron-pair leads in an aqueous NH₃ solution of calciumhydroxide at room temperature to colourless crystals of CaZn₂(OH)₆ · 2 H₂O. The X-ray structure determination was now successful including all hydrogen positions. P2₁/c, Z = 2, a = 6.372(1) Å, b = 10.940(2) Å, c = 5.749(2) Å, β = 101.94(2)° N(F ≥ 3σF) = 809, N(Var.) = 69, R/R_W = 0.011/0.012 The compound CaZn₂(OH)₆ · 2H₂O contains Zn²⁺ in tetrahedral coordination by OH^? and Ca²⁺ in octahedral coordination by four OH^? and two H₂O. The tetrahedra around Zn²⁺ form corner sharing chains, three-dimensionally linked by isolated polyhedra around Ca²⁺. Weak hydrogen bridge bonds result between H₂O as donor and OH^?.     

Die Kristallstruktur von Perowskiten ANiIIMVIO6. II. Das Sr2NiWO6

The Crystal Structure of Perovskites A Ni^IIM^VIO₆. II. Sr₂NiWO₆ The results of an X-ray single crystal study of the perovskite Sr[Ni^IIW^VI]⁽⁶⁾O₆, ordered in the octahedral sites, are given. While Sr[Ni^IITe^VI]⁽⁶⁾O₆ crystallizes in a monoclinically deformed structure of the perovskite (elpasolite) type, showing a phase transition to a tetragonal lattice at 675 °K, Sr[Ni^IIW^VI]⁽⁶⁾O₆ is tetragonal already at 298°K (space group: C; a = b = 5.559 Å; c = 7.918 Å; Z = 2). The Ni? O distances found for the tungsten compound are nearly identical with those of the tellurium perovskite. In contradiction to crystal field theory very different values of the ligand field parameter Δ (ca. 25%) are observed for these two compounds however. Obviously this effect is caused by the rather different kind of bonding within the NiO₆ polyhedra in the two compounds. On the basis of the structural results the Ni? O-bonding in the two perovskites is discussed in dependence of the next nearest cationic environment.     

The Crystal Structure of Pb8FeIIFeF24: an ordered Fluorite-like Compound

Pb₈Fe^IIFeF₂₄ is triclinic: a = 20.118(3) Å, b = 5.597(1) Å, c = 9.440(2) Å, α = 89.75(2)°, β = 105.79(2)°, α = 89.38(2)°, Z = 2. The structure is solved in the unconventional space group C1 , from X-ray single crystal data using 1 641 independent reflections (R = 0.048, R_w = 0.051). It is built up from the stacking of two subnetworks along the a axis: fluorite-like [Pb₈F₁₀]_n⁶ⁿ⁺ layers and infinite dimetallic [Fe^IIFeF₁₄]_n^6n? double-chains of corner-sharing octahedra running along the b axis.     

Rb2Co3(H2O)2[B4P6O24(OH)2]: Ein Borophosphat mit ‐Tetraeder‐Anionenteilstruktur und Oktaeder‐Trimeren (CoO12(H2O)2)

Rb₂Co₃(H₂O)₂[B₄P₆O₂₄(OH)₂]: A Borophosphate with ‐Tetrahedral Anionic Partial Structure and Trimers of Octahedra (Co O₁₂(H₂O)₂) Rb₂Co₃(H₂O)₂[B₄P₆O₂₄(OH)₂] is formed under mild hydrothermal conditions (T = 165 °C) from mixtures of RbOH_(aq), CoCl₂, H₃BO₃, and H₃PO₄ (molar ratio 1 : 1 : 1 : 2). The crystal structure (orthorhombic system) was solved by X‐ray single crystal methods (space group Pbca, No. 61; R‐values (all data): R1 = 0.0699, wR2 = 0.0878): a = 950.1(1) pm, b = 1227.2(2) pm, c = 2007.4(2) pm; Z = 4. The anionic partial structure consists of tetrahedral [B₄P₆O₂₄(OH)₂^8–] layers, which contain three‐ and nine‐membered rings. Co^II is octahedrally coordinated by oxygen and oxygen and H₂O ligands, respectively (coordination octahedra CoO₆ and CoO₄(H₂O)₂). Three adjacent coordination octahedra are condensed via common edges to form trimeric units (CoO₁₂(H₂O)₂). The oxidation state +2 of cobalt was confirmed by magnetic measurements. The octahedral trimers are quasi‐isolated. No long‐range magnetic ordering occurs down to 2 K. Rb⁺ is disordered over three crystallographically independent sites within channels of the structure running parallel [010]; the coordination sphere of Rb⁺ is formed by nine oxygen species of the tetrahedral layers, one OH group and one H₂O molecule.     

EPR-Einkristalluntersuchungen System Fe(NO)(Et2dsc)2/In(Et2dsc)3 (Et2dsc = Diethyldiselenocarbamat). Kristall- und Molekülstruktur von Tris(diethyldiselenocarbamato)indium(III), In(Et2dsc)3

Single Crystal Electron Paramagnetic Resonance Study on the System Fe(NO)(Et₂dsc)₂/In(Et₂dsc)₃ (Et₂dsc = diethyldiselenocarbamate). Crystal and Molecular Structure of Tris(diethyldiselenocarbamato)indium(III), In^III(Et₂dsc)₃ A single-crystal EPR study (T = 295 K) of Bis(diethyldiselenocarbamato)nitrosyliron(I) incorporated in Tris(diethyldiselenocarbamato)indium(III) is reported. The tensors g an A^N have rhombic symmetry with g₁ = 2.048, g₂ = 2.058, g₃ = 2.062 and A = 9.2 · 10^?4 cm^?1, A = 10.0 · 10^?4 cm^?1, A = 11.3 · 10^?4 cm^?1. The A values are discussed in terms of spin density distribution. The x-ray crystallographic data of In^III(Et₂dsc)₃ (space group P2₁/c, a = 6.731(3) Å, b = 18.05(9) Å, c = 20.914(10) Å, α = 90.02(2)°, β = 93.74(2)° and γ = 90.01(2)°) are given.     

19F-NMR-spektroskopischer Nachweis und Berechnung der statistischen Bildung der gemischten Clusteranionen [(Mo6BrCl)F]2−, n = 0 – 8

¹⁹F NMR Spectroscopic Evidence and Calculation of the Statistical Formation of Mixed Cluster Anions [(Mo₆Br Cl )F ]^2?, n = 0 – 8 The complete system of the innersphere mixed clusters (Mo₆BrCl)⁴⁺ is formed by exchange of innersphere bound Clⁱ against outersphere bound Br^a on tempering the solid [(Mo₆Cl)Br] at 500°C for 16 h. After conversion with conc. HCl into (H₃O)₂[(Mo₆BrCl)Cl] and precipitation of the outer Cl^a with AgBF₄ in ethanol, treatment with tetrabutylammonium(TBA)fluoride yields (TBA)₂ [(Mo₆BrCl)F], a mixture of 22 different species. According to the sets of chemical equivalent fluorine atoms in total 55 ¹⁹F nmr signals are expected, which are really observed in the high resolution 1D-¹⁹F-nmr spectrum. Using increments of chemical shifts, peak intensities and multiplet structures as well as the 2D-¹⁹F/¹⁹F-COSY spectrum the complete and unambiguous assignment of all resonances is achieved. From the measured integral intensities the distribution of the different compounds is determined, revealing statistical formation of the geometrical isomers.     

Lithiumtriamidostannat(II), Li[Sn(NH2)3] – Synthese und Kristallstruktur

Lithium Triamidostannate(II), Li[Sn(NH₂)₃] – Synthesis and Crystal Structure Rusty-red glistening, transparent crystals of Li[Sn(NH₂)₃] were obtained by reaction of metallic lithium with tetraphenyl tin in liquid ammonia at 110 °C. The structure was determined from X-ray single-crystal diffractometer data: Space group P 2₁/n, Z = 4, a = 8.0419(9) Å, b = 7.1718(8) Å, c = 8.5085(7) Å, β = 90.763(8)°, R₁ (F _o ≥ 4σ(F _o)) = 2.8%, wR₂ (F ≥ 2σ(F )) = 5.3%, N(F ≥ 2σ(F )) = 1932, N(Var.) = 65. The crystal structure contains trigonal pyramidal complex anions [Sn(NH₂)₃]^– with tin at the apex, which are connected to layers of sequence A B A B … by lithium in tetrahedra-double units [Li(NH₂)_2/2(NH₂)₂]₂.     

Synthesis and Structure of [Sn4Se11]6–, [Sn2Se52–], and [Sn3Se72–] – Model Anions for the Solventothermal Reaction Pathway to Lamellar Selenidostannates(IV)

Reaction of A₂CO₃ (A = K, Rb) with Sn and Se in an H₂O/CH₃OH mixture at 115–130°C affords the isotypic selenidostannates(IV) A₆Sn₄Se₁₁ _. xH₂O (A = K, x = 8) 1 and 2 whose discrete [Sn₄Se₁₁]^6– anions each contain two corner‐bridged ditetrahedral [Sn₂Se₆]^4– species. Similar reaction conditions with A = Cs afford Cs₂Sn₂Se₅ _. H₂O ( 3a ) and Cs₂Sn₂Se₅ ( 3b ) in which such [Sn₂Se₆]^4– building blocks are connected through common Se atoms into infinite [Sn₂Se₅^2–] chains. The [Sn₃Se₇^2–] ribbons of (Et₄N)₂Sn₃Se₇ ( 4 ), formed by treating (Et₄N)I with Sn and Se in methanol at 130°C, can be regarded as resulting from the condensation of [Sn₂Se₅^2–] chains with molecular [SnSe₄]^4– anions. The anions [Sn₄Se₁₁]^6–, [Sn₂Se₅^2–], and [Sn₃Se₇^2–] represent the products of individual reaction steps on the potential condensation pathway of [Sn₂Se₆]^4– to the lamellar selenidostannates(IV) [Sn₄Se₉^2–] or [Sn₃Se₇^2–].     

New Pyrochlore Pb[In0.5 Sb1.5]O6.5

From the study of the hypothetical series Pb[PbIn_c–2pSb_c]O_6+p (O ? p < 1; 0 ? c < 2), the existence of the cubic pyrochlore Pb₂^II[In_0.5Sb_1.5]O_6.5 has been established. This compound was obtained as an orange yellow powder, S.G. Fd4 m (No. 227), Z = 8, a = 10.5892(1) Å, V = 1187.38(3) ų, D_c = 8.48 M gm^?3. For Pb in 16(c) positions, In and Sb (1:3) randomly distributed in 16(d), oxygen atoms in 48(f) and in a half of the 8(a) sites, and oxygen positional parameter x = 0.429 (origin at center, 3 m), R = 0.062. The apparent interatomic distances (Å) are determined: Pb? O = 2.612; (In, Sb)? O = 2.019.     

Herstellung von Fluorophosphaten,Difluorophosphaten, Fluorophsophonaten und Fluorophosphiten in fluoridhaltigen Harnstoffschmelzen

Preparation of Fluorophosphates, Difluorophosphates, Fluorophosphonates, and Fluorophosphites in Fluoride-containing Urea Melts Phosphoric acid, phosphonic acid, and organylphosphonic acid react on heating in fluoride-containing urea melts in high yields to fluorophosphates, MPHO₂F, organylfluorophosphonates, M¹RPO₂F, organylpolyfluorophosphonates, MR¹CX(PO₂F)₂, MN(CH₂PO₂F)₃, and phosphonoorganylfluorophosphonates, MR¹CX(PO₃)PO₂F (M¹ = K, NH₄; R = organic substituent; R¹ = H, organic substituent; X = OH, NH₂, NR₂). The reaction mechanism of the formation of fluorophosphate ions in fluoride containing urea melts is discussed.     

Tetraammin-Lithium-Kationen zur Stabilisierung phenylsubstituierter Zintl-Anionen: Die Verbindung [Li(NH3)4]2[Sn2Ph4]

Tetraammine Lithium Cations Stabilizing Phenylsubstituted Zintl-Anions: The Compound [Li(NH₃)₄]₂[Sn₂Ph₄] Ruby-red, brittle single crystals of [Li(NH₃)₄]₂[Sn₂Ph₄] were synthesized by the reaction of diphenyltin dichloride and metallic lithium in liquid ammonia at ?35°C. The structure was determined from X-ray singlecrystal diffractometer data: Space group, P1 , Z = 1, a = 9.462(2) Å, b = 9.727(2) Å, c = 11.232(2) Å, α = 66.22(3)°, β = 85.78(3)°, γ = 61.83(3)°, R₁ (F ? 4σF) = 5.13%, wR₂ (F₀² ? 4σF) = 10.5%, N(F ? 4σF) = 779, N(Var.) = 163. The compound contains to Sb₂Ph₄ isosteric centres [Sn₂Ph₄]^2? as anions which are connected to rods by lithium cations in distorted tetrahedral coordination by ammonia. These rods are arranged parallel to one another in the b,c-plane, but stacked along [100].     

The crystal structure of tris (ethylenediamine), cobalt(III) hexacyanoferrate(III)dihydrate,Co(C2H8N2)3[Fe(CN)6] · 2H2O

The crystal structure of the title compound has been determined from three dimensional x-ray data obtained by the multiple film method. The space group is P2_l/n and the cell dimensions are: a = 14.90, b = 16.84, c = 8.38 Å; β = 93.5° Z = 4. The structure is formed by discrete Co (en) and Fe(CN) ions, both of which have an octahedral configuration. The Fe(CN) ions are approximately octahedrally surrounded by the Co (en) ions while arrangement of Fe (CN) ions around the Co(en) ions completely differs from an octahedron. The mean Fe? C and Co? C dustances are 1.91 and 2.01 Å, respectively. The water molecules do not play an important role in the structure and all distances between oxygen and other atoms indicate the presence of very weak hydrogen bonds. The salts M (en)₃ Q(CN)₆ · H₂O, where M = Co and Cr and Q = Cr, Mn, Fe and Co, are all isomorphous.     

Schwingungsspektren der Clusterverbindungen (M6X)X · 8 H2O,M = Nb,Ta; Xi = CI,Br; Xa = CI,Br, I

Vibrational Spectra of the Cluster Compounds (M₆X₁₂ⁱ) · 8H₂O, M = Nb, Ta; Xⁱ = Cl, Br; X^a = Cl, Br, I IR and, for the first time, Raman spectra at 80 K of the cluster compounds (M₆X)X · 8H₂O; M = Nb, Ta; Xⁱ = Cl, Br; X^a = Cl, Br, I, have been recorded, characterized by typical frequencies of the (M₆X) unit, which are only slightly influenced by the terminal X^a ligands. The most intense line with the depolarisation ≈? 0.2 in all Raman spectra is caused by inphase movement of all atoms and assigned to the symmetric metal-metal vibration v₁, observed for the clusters (Nb₆Cl) at 233–234, for (Nb₆Br) at 186–187, for (Ta₆Cl) at 199–203, and for (Ta₆Br) at 176–179 cm^?1. The IR spectra exhibit in the same series intense bands at 233, 204, 207, and 179 cm^?1, assigned to the antisymmetric metal-metal vibration. The metal-metal frequencies are significantly higher than discussed before. The tantalum clusters show on excitation with the krypton line 647.1 nm in the region of a d–d transition at 645 nm a resonance Raman effect with series of overtones and combination bands. In case of (Ta₆Br) another polarisized band is observed at 229 cm^?1 and assigned to the Ta? Brⁱ vibration v₂. From the progressions of v₁ and v₂ anharmonicity constants of about ?3 cm^?1 are calculated indicating a strong distortion of the potential curves.     

Dibrommethylsulfoniumsalze – Darstellung und Kristallstruktur [1]

Dibromomethylsulfoniumsalts — Preparation and Crystal Structure The salts CH₃SBrA^? (A^? = SbCl, AsF) were prepared by various routes and characterized by their Ramanspectra. CH₃SBrAsF crystallized in the monoclinic space group P2₁/c with a = 770,5(4) pm, b = 942,4(12) pm, c = 1329,3(14) pm, β = 100,28(6)°, Z = 4. Distances and bond angles in the cation are as expected.