Information card for entry 4308307

Structure parameters

• Formula: C18 H16 B Cl Mo N9 O1.5 S3
• Calculated formula: C18 H16 B Cl Mo N9 O1.5 S3
• Title of publication: Oxo-Molybdenum(VI,V,IV) Complexes of the Facially Coordinating Tris(mercaptoimidazolyl)borate Ligand: Synthesis, Characterization, and Oxygen Atom Transfer Reactivity
• Authors of publication: Ba L. Tran; Carl J. Carrano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5429 - 5438
• a: 9.461 ± 0.002 Å
• b: 22.51 ± 0.005 Å
• c: 13.38 ± 0.003 Å
• α: 90°
• β: 107.334 ± 0.008°
• γ: 90°
• Cell volume: 2720.1 ± 1 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No