Information card for entry 2006577

Structure parameters

• Chemical name: [hydridotris(pyrazolyl)borato]-bis[1,1-diphenylhydrazido(2-)]chloromo- lybdenum(VI)
• Formula: C33 H30 B Cl Mo N10
• Calculated formula: C33 H30 B Cl Mo N10
• SMILES: [Mo]12(Cl)(=NN(c3ccccc3)c3ccccc3)(=NN(c3ccccc3)c3ccccc3)[n]3[n](ccc3)[BH]([n]3[n]1ccc3)[n]1[n]2ccc1
• Title of publication: Chlorobis[1,1'-diphenylhydrazido(2‒)-<i>N</i>^2^][hydridotris(pyrazolyl-<i>N</i>^2^)borato]molybdenum(VI)
• Authors of publication: Carolina Manzur; David Carrillo; Daphne Boys
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1401 - 1403
• a: 9.504 ± 0.003 Å
• b: 18.536 ± 0.005 Å
• c: 10.305 ± 0.003 Å
• α: 90°
• β: 112.76 ± 0.02°
• γ: 90°
• Cell volume: 1674 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.073
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No