Information card for entry 2228370

Structure parameters

• Chemical name: (4-<i>tert</i>-Butylpyridine)chlorido[hydrotris(3,5-dimethylpyrazol-1- yl)borato]nitrosylmolybdenum(I) dichloromethane monosolvate
• Formula: C25 H37 B Cl3 Mo N8 O
• Calculated formula: C25 H37 B Cl3 Mo N8 O
• SMILES: [Mo]12(Cl)(N=O)([n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)[n]1ccc(cc1)C(C)(C)C.C(Cl)Cl
• Title of publication: (4-<i>tert</i>-Butylpyridine)chlorido[hydrotris(3,5-dimethylpyrazol-1-yl)borato]nitrosylmolybdenum(I) dichloromethane monosolvate
• Authors of publication: Kassim, Mohammad B.; McCleverty, Jon A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1696 - m1697
• a: 13.4525 ± 0.0018 Å
• b: 16.345 ± 0.002 Å
• c: 14.818 ± 0.002 Å
• α: 90°
• β: 109.376 ± 0.002°
• γ: 90°
• Cell volume: 3073.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes