Information card for entry 4321664

Structure parameters

• Formula: C10 H17 Cl4 Mo O
• Calculated formula: C10 H17 Cl4 Mo O
• SMILES: [c]12(C)[Mo]345([OH2])([c]1([c]4([c]5([c]23C)C)C)C)(Cl)(Cl)(Cl)Cl
• Title of publication: Halogenation and Alkylation at a MoIII2(μ-S) Site. Crystal Structure of the Metal-Sulfenyl Halide Complex [Mo2(η5-C5Me5)2(μ-SMe)2(μ-SI)(CO)2]I5
• Authors of publication: P. Schollhammer; F. Y. Pétillon; J. Talarmin; K. W. Muir; H. K. Fun; K. Chinnakali
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5879 - 5882
• a: 13.9735 ± 0.001 Å
• b: 11.9079 ± 0.0004 Å
• c: 8.4183 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1400.76 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.0788
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No