Information card for entry 4322286

Structure parameters

• Formula: C18 H44 Cl6 Fe Mo2 O2 P4 S4
• Calculated formula: C18 H44 Cl6 Fe Mo2 O2 P4 S4
• SMILES: O=[Mo]123[P](CC[S]1[Fe]1([S]2CC[P]3(C)C)([S]2[Mo]3(=O)([P](CC2)(C)C)[P](CC[S]13)(C)C)(Cl)Cl)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis of Bis{(2-dimethylphosphino)ethane-1-thiolato}bis(tert-butylthiolato)- molybdenum(IV) and Its Cluster-Forming Reactions with FeCl2 and CuBr
• Authors of publication: Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4549 - 4553
• a: 14.74 ± 0.002 Å
• b: 13.778 ± 0.002 Å
• c: 19.537 ± 0.002 Å
• α: 90°
• β: 97.713 ± 0.01°
• γ: 90°
• Cell volume: 3931.8 ± 0.9 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for significantly intense reflections: 0
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No