(μ-σ,π-反式-C_6H_5CH=CH)(μ-C_2H_5S)Fe_2(CO)_6的分子和晶体结构

标题化合物由[(μ-CO)(μ-C_2H_5S)Fe_2(CO)_6](C_2H_5)_3NH和反式或反式-C_6H_5CH=CHBr制得。其晶体属空间群C_c;a=1.8053 nm,b=1.0436 nm,c=1.9045 nm;β=93.68°;D_c=1.66g/cm~3;Z=8;R=0.0413。Fe—Fe键长为0.2542nm,苯乙烯基配体的C=C双键为0.1358 nm,乙基以e-键与硫桥原子相连。     

CRYSTAL AND MOLECULAR STRUCTURE OF (μ-PhS)-(μ-p-CH_3C_6H_4CCH=CH) Fe_2(CO)6

<正> The red transparent crystals of the title complex C22H14O7SFe2 (Mr=534.0996) crystallize in triclinic space group Flwith cell parameters:a = 9. 939(6),b= 10. 065(5), c= 12. 344(7) A;a=73. 95(4),B=79. 07(4),y=74. 77(4) ;V= 1135. 87A;Z=2;Dc=1.56g.cm-3;F(000) = 540. 0. The final R and Rwis 0.089 and 0. 086 for 3051 observed unique reflections. The ligand u-a,n-p-CH3C6H4C(O)CH=CH in the title complex is coordinated to two Fe atoms.     

CRYSTAL STRUCTURE OF MIXED-METAL CLUSTER(η~5-C_5H_5)_2Mo_2Fe_2(μ3-S)_2(μ-CO)_2(CO)_6

<正> Mr= 721.98,monoclinic, P21/n,a= 9.773(1), b = 6.641(3), c = 16.258(1)A,β=92.25(1)°,V=1054.4(7)A3,Dx = 2.274g/cm3,Z=2,λ(MoKα)=0.7107A.Final R= 0.024,Rw= 0.036 for 1554 observed reflections. The cluster core Fe2Mo2 is a rhombic plane with Mo-No distance of 2.827A and average Mo-Fe distance of 2.773A.     

CRYSTAL AND MOLECULAR STRUCTURE OF cis—（μ—PhS—（CH2）3SPh）PdCl2

<正> The title complex, C15S2Cl2H16Pd, Mr = 437. 73, crystallizes in monoclinic space group P21/c with a = 10. 177(2), b=10. 788(1), c= 15. 305(1) (?),β=102. 73(1)°, V = 1638. 1(?)3, Z = 4, Dx =1.77g/cm3, μ = 16.8cm-1, F (000) = 872. The final structure refinement converged with unweighted and weighted R factors of 0. 025 and 0. 033 for 2490 observed unique reflections. The complex has mononuclear structure with the ligand cis-chelated to the Pd(Ⅱ) atom.     

CRYSTAL AND MOLECULAR STRUCTURE OF (μ-SPh) (μ-SCH2CH2CN)Fe_2 (CO)_6

<正> The crystal and molecular structure of (μ-SPh)(μ-SCH2CH2CN)Fe2-(CO)5 has been determined by X-ray diffraction method. The crystals of this complex are triclinic, space group P1,with a=ll.175(1), b=ll.877(2), c= 15.640(2)1,α=106.20(1),β=103.15(1),γ=98.46(1)°; Z=4; Dc=1.67g/cm3. The final structure refinement converged with unweighted and weighted R factors of 0.028 and 0.034 for 2853 observed unique reflections.     

THE MOLECULAR AND CRYSTAL STRUCTURE OF [Et4N]2[Fe2S2（NO）4]

<正> The compound [Et_4N]_2[Fe_2S_2(NO)_4] (M_r=556.36) crystallizes in the monoclinic,space group P 2_1/n with a=9. 688(3), b=10. 882(2), c=12. 625(2), β=97. 86(3)°, Z=2, V=1318. 4, D_c=1. 40g/cm~3, ;μ(MoK_a)=12. 8cm~(-1) and F(000)=588. The final R=0. 028 and R_w=0. 029 for 2041 reflections (I≥3σ(I)).The crystals of [Et_4N]_2[Fe_2S_2(NO)_4] consist of discrete cations [Et_4N]~+ and anions     

CRYSTAL AND MOLECULAR STRUCTURE OF(μ-PhCH_2S)(μ-CH_3C(0)CH_2S)Fe_2(CO)_6

<正> The crystal and molecular structures of (μ-PhCH2S)(μ-CH3C(O)CH2S)-Fe2(CO)6 have been determined by X-ray diffraction technique. The complex has chemical formula of C16H12O7S2Fe2 and Mr=492.08. The crystals are tri-clinic, space group P1,with a=8.461(5), b=10.937(5), c=ll.419(4)A,α=81.61 (3), β=78.21(4),γ=71.04(4)°,V=974.5A3, Dc=1.68 gcm-3,μ(MoKα)=17.3cm-1, Z=2,F(000)=495.93. The final R was 0.038 for 2874 independent reflections.     

MOLECULAR AND CRYSTAL STRUCTURE OF （（C6H5）3P）2Ag（CO2H）

<正> C_37 H_31 O_2P_2Ag, Mr = 677. 47. The crystal structure belongs to mon-oclicnic system with space group Cc. Cell constants a =24. 952(2), b = 9. 179(1), c = 15. 262(1) A ,β= 116. 34 (2)°, V= 3132. 9 (3) A3, Z = 4, Dc = 1. 436g/cm3, D0 = 1. 43g/cm3.The final R achieved is 0. 052 for 5677 observed reflections, F (000) = 673. Like other silver complexes, Ag ( I ) in the center of the complex is 4-coordinat-ed. Formic acid anion also acts as a bidentate ligand in this complex beside two triph-enylphosphine groups.     

CRYSTAL AND MOLECULAR STRUCTURE OF N—ETHYLPHENOTHIAZINE RADICAL CATION HEXACHLOROANTIMONATE EPT^＋SbCl6^—

<正> C14H13Cl6NSSb, Mr =561.8, Monoclinic, C2/c1 8=15,32(1), b= 11.72(1), c= 11.10(1)A,β=99.31(3)°,V=1969(1)A3,Dc=1,902g.cm-3, Z=4,CuKα,λ=1.5418A,μ=200.95cm-1.Room temperature, final R=0.051 for 1197 unique reflections with I>, 3.0σ(I).Pronounced defornation of the Molecular structure has been observed when the neutral N-ethylphenothia-zine is transformed into its radical cation. The structural features of the radical cation are compared with those of N-methyl analogue.     

CRYSTAL AND MOLECULAR STRUCTURE OF 1，2，3—TRIBENZOYLINDOLIZINE

<正> Crystal and molecujar structure of the title compound, C29H19NO3, was determined by single crystal X-ray diffraction analysis. .Mt=429. 48, monoclin-ic, space group P21/n, a = 10. 365 (3), b= 14. 614(4), c= 14. 857 (4) A ,β= 103.55(2)°,V=2186. 1(10) A3, Z=4, Dc= 1. 30g/cm3,μ(MoKa) = 0. 81cm-1, F (000) = 919. 87. Final residual R value was 0. 0704 and Rw = 0. 0704. The indo-hzine ring is conjugated only with the 1-benzonyl group.