Information card for entry 4321665

Structure parameters

• Formula: C24 H36 I6 Mo2 O2 S3
• Calculated formula: C24 H36 I6 Mo2 O2 S3
• 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: 17.7079 ± 0.0003 Å
• b: 14.4213 ± 0.0002 Å
• c: 14.5978 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3727.85 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.1378
• Weighted residual factors for significantly intense reflections: 0.1141
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No