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结构化学 1985年第2期 82-85页

作者： cai jinhua kang beishengfujian institute of research on the structure of matter, academia sinica

The title compound was synthesized and crystal structure was solved. (Et4N)3[Mo2Fe6S8(OMe)3(SPh)6], Mr=1922.39, hexagonal, PGs/m, a = 17.750(3), c=15.880(2) A, V=4332.7(26) A3, Z-2, Dx=1.477 g/cm3, MoKα, λ= 0.71069 A, R = 0.059, Rw = 0.065, for 814 observed reflexions. The complex anion contains two Fe3MoS4 cubane-like units linked throug their molybdenum atoms by three ,μ2-methoxy-groups, and the overall structure of the anion has C3b symmetry.

关键词： Fe Mo2Fe6S8 BRIDGED CLUSTER COMPLEX DOUBLE-CUBANE Et4N METHOXY OMe

SYNTHESIS AND CRYSTAL structure OF BIS (TETRAETHYLAMMONIUM) BIS[μ-(l,2-DITHIOETHELENE)-S,S’]-BIS[l,2-DITHIOETHELENE-S,S’]-DI-IRON(Ⅲ)

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结构化学 1985年第2期 128-132页

作者： Liu Qiutian cai jinhua and kang beishengfujian institute of research on the structure of matter, academia sinica

INTRODUCTION. In our attempts of chemical simulation of the active center of nitrogenase we have been interested in the reaction system of various ferrous thiolates with thiomolybdatee. In previous papers, we have reported the syntheses of ferrous monodentothiolates and their reactions with tetrathiomolybdate. The possible structure type of ferrous thiolates when bidentothiols are used inspired our interest in this work.

关键词： SYNTHESIS AND CRYSTAL structure OF BIS TETRAETHYLAMMONIUM l,2-DITHIOETHELENE DI-IRON S,S

CRYSTAL structure OF （Et4N）4[Mo2Fe7S8（SPh） 12]

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结构化学 1984年第2期 143-145页

作者： Cia jinhua and kang beishengfujian institute of research on the structure of matter, academia sinica

(Et4N)4[Mo2Fe7S8(SPh)12] : Mw=2670.3, triclinic, p1, a=12.775(4), b=13.076(3), c=20.576(4)A, α=80.00(2), β=81.39(2), γ=61.51(2)°, V=2966.3(14) A3, Z=1, D=1.494 gcm-3, R=0.077 for 4031 observed reflections. The complex was prepared by reactions of (Et4N)2[Fe4(SPh) 10] with (Et4N)2MoS4 in an ace-tonitrile solution. The structure of [Mo2Fe7S8(SPh)12]4- anion is a double-cubane-like configuration bridged by a Fe(SPh)6 group.

关键词： Fe SPh Et4N Mo2Fe7S8 CRYSTAL structure OF

THE structure OF BIS （TETRAETHYLAMMONIUM）（DICHLORODITHIOFERRATO- S,S’）-DIOXOMOLYBDATE, （Et4N）2[Cl2FeS2MoO2]

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结构化学 1985年第2期 100-102页

作者： cai jinhua Cheng ChangnengFujian institute of research on the structure of matter, academia sinica

(Et4N)2[Cl2FeS2MoO2], Mr = 579.3, monoclinic, P21, a = 13.531(2) b = 8.912(2), c = 11.095(2)A, β= 95.39(4)°, V r 1331.9(8)A3, Z = 2, DC =1.444 gcm-3, MoK , radiation, λ= 0.71069A, R = 0.065 for 1725 observed reflec... 详细信息

关键词： FeS Mo Et4N DICHLORODITHIOFERRATO TETRAETHYLAMMONIUM S,S DIOXOMOLYBDATE THE structure OF BIS Cl2FeS2MoO2

Syntheses and structural studies of molybdenum-iron-sulfur compounds Ⅰ. The synthesis and crystal structure of （Et4N）[Mo2Fe7S8（SPh）12]

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Chinese Journal of Chemistry 1986年第3期4卷 209-216页

作者： kang Bei-Sheng cai Jing-Hua CHENG Chang-Neng LU Jia-Xi Fujian institute of research on the structure of matter, academia sinica, Fuzhou Fujian institute of research on the structure of matter Academia Sinica Fuzhou

Through the reactions of ferrous thiolates with tetrathiomolybdate, we discussed thereaction pathways and possible intermediates during the formation of double-cubane type Mo-Fe-Scluster compounds. We also reported the synthesis, crystal structure, IR and magnetic susceptibi-lity measurements of the title compound 2. The crystal of 2 belongs to triclinic system, Mr=2670.3;P1; a=12.755（4）A, b=13.076（3）A, c=20.576（4） A; α=80.00 （2）°, β=81.39（2）°, γ=61.51（2）°;V=2966.3（14）A3; Z=1; Dc=1.495 g/cm2. Final R factor is 0.077 for 4031 observed *** compound was obtained through the reaction of （Et4N）2[Fe4（SPh）10] （1） with （Et4N）2MoS4inacetonitrile solution. The structure of anion 2 is two cubane clusters bridged by a Fe（SPh）*** Mo…Mo′ distance of 7.188A is the longest among all double-cubane cluster compounds ofknown structures.

关键词： Fe Syntheses and structural studies of molybdenum-iron-sulfur compounds SPh Et4N The synthesis and crystal structure of Mo2Fe7S8

CRYSTAL structure OF （Et4N）3[Mo2Fe6S8（SPH）9]

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结构化学 1984年第1期 33-35页

作者： cai jinhua and Cheng ChangnengFujian institute of research on the structure of matter, academia sinica

Introduction. A series Of Mo-Fe-S complexes with doublecubane structure has been synthesized and identified. Because of the similarity of its extended X-ray absorption fine structure (EXAFS) to that of FeMo cofactor and nitrogenase, suggestion has been made that the doublecubane complexes may serve as models for the Mo site of nitrogenase. Therefore, the investigation of this type of complexes has attracted much attention. By using the similar method of spontaeous self-assembly reaction, and starting from certain kinds of Mo-Fe-S compounds, we have been able to obtain several kinds of compounds, one of which

关键词： Fe Et4N Mo2Fe6S8 CRYSTAL structure OF SPH

THE CRYSTAL structure OF BIS（TETRAETHYLAMMONIUM）(μ-OXO)BIS[TRIPHENYL-THIOLATO-IRON（Ⅲ）],（Et4N）2[Fe2O（SPh）6]

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Chinese Journal of Structural Chemistry 1988年第1期 57-60页

作者： cai jinhua Lu JiaxiFujian institute of research on the structure of matter, academia sinica

FeOSsNCH,Mr=1043.23,monoclinic, P21/a, a=18.121（3）, b=15.249（3）, c=20.369（4）A,β=102.49（8）°,V=5495（1）A3, Z=4, Dc=***-3,MoKα（λ =0.710691）, μ=17.816mm-1, F（000）=2208. R=0.073 for 4374 observed reflections with I≥3.0σ（I）. The structure of the anion contains a linear Fe-O-Fe unit, with mean Fe-O distance of 1.766（2）A. The coordination geometry about each iron atom is close to tetrahedral with the angles O-Fe-S and S-Fe-S being 115.3° and 103.1°, respectively.

关键词： Fe2O SPh Et4N TETRAETHYLAMMONIUM OXO)BIS[TRIPHENYL-THIOLATO-IRON THE CRYSTAL structure OF BIS

CRYSTAL structure OF BIS（TETRAETHYLAMMONIUM） BIS-[BIS（p-CHLOROPHEN- THIOLATO）(μ-SULFIDO) IRON（Ⅲ）], （Et4N）2[Fe2S2（SC6H4Cl-p）4]

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Chinese Journal of Structural Chemistry 1988年第1期 43-46页

作者： cai jinhua Cheng ChangnengFujian institute of research on the structure of matter, academia sinica

（EtN）[FeS（SCHCl-p）], Mr=939.89, F（000）=492, triclinic, P1,a=9.358（4）, b=10.535（3）, c=14.537（2）A,α=64.96（2）,β=70.29（2）,γ= 68.22（2）°, V=1177.8（13）A3, Z=1,Dc=1.325 gcm-3, MoKα ,λ=0.71069A. Final R= 0.061,Rw=0.076, for 1794 independent observed reflections. The anion contains a planar Fe2S2 core. Each iron atom is coordinated by two μ2-S atoms and two thiolate sulfur atoms to form the tetrahedral geometry. The structure of the cation has its positional disorder.

关键词： CRYSTAL structure OF BIS TETRAETHYLAMMONIUM THIOLATO p-CHLOROPHEN IRON SULFIDO Et4N Fe2S2 Cl

FORMATION AND CRYSTAL structure OF （Et4N）2[Fe（SC6H4CH3-P）4]

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Chinese Journal of Structural Chemistry 1985年第2期 119-122页

作者： kang Beisheng and cai jinhuaFujian institute of research on the structure of matter, academia sinica

INTRODUCTION. In the study of synthetic methods and chemical reactions of Mo-Fe-S cluster compounds for simulation of the catalytic active center of nitrogenase, the *** of MoSand varios ferric or ferrous salts have caused the interests of many chemists. We have been studying the system of ferrous thiolates and thiomolybdates and found interesting results. In a previous paper, we reported the syn-

关键词： Fe FORMATION AND CRYSTAL structure OF Et4N SC6H4CH3-P CH

structure OF BIS(TETRAETHYLAMMONIUM)BIS[BIS(PHENYLTHIOLATO) (μ-SULFIDO)-IRON(Ⅲ)],(Et4N)2[Fe2S2(SC6H5)4]

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结构化学 1985年第3期 199-202页

作者： cai jinhua Cheng ChangnengFujian institute of research on the structure of matter, Acadewia sinica

Mr= 873.02, orthorhombic P21212, a= 16.153(3), b= 15.718(2), c= 8.847(3) A, V= 2246.2(14)A3, Z=2, Dx? 1.291gcm-3, MoK(?), radiation, λ= 0.71069A, μ= 9.417mm-1, F(000)= 924, R(Rw)= 0.073(0.069) for 1936 observed reflections. The structure of the anion contains a FesSz core, in which each iron atom is coordinated by two μ2-S atoms and two thiolate sulfur atoms to form a distorted tetrahedron.

关键词： Fe PHENYLTHIOLATO SULFIDO Et4N)2[Fe2S2 IRON TETRAETHYLAMMONIUM)BIS[BIS SC6H5)4