Information card for entry 4317501

Structure parameters

• Common name: dichloro[tris(pyrazolyl)borato]osmium(mu-nitrido) [tris(diethyldithiocarbamate)]molybdenum benzene solvate
• Formula: C30 H46 B Cl2 Mo N10 Os S6
• Calculated formula: C30 H46 B Cl2 Mo N10 Os S6
• SMILES: [Os]12(Cl)(Cl)(N=[Mo]345([S]=C(S3)N(CC)CC)([S]=C(S4)N(CC)CC)SC(=[S]5)N(CC)CC)[n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1.c1ccccc1
• Title of publication: Polar Effects in Nitride Coupling Reactions
• Authors of publication: Sean B. Seymore; Seth N. Brown
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 462 - 469
• a: 11.885 ± 0.002 Å
• b: 12.372 ± 0.002 Å
• c: 15.924 ± 0.002 Å
• α: 74.706 ± 0.012°
• β: 88.109 ± 0.011°
• γ: 70.697 ± 0.011°
• Cell volume: 2127.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No