Information card for entry 2207121

Structure parameters

• Chemical name: Chloro[hydrotris(pyrazol-1-yl)borato]oxo(1H-pyrazole)vanadium(IV)
• Formula: C12 H14 B Cl N8 O V
• Calculated formula: C12 H14 B Cl N8 O V
• SMILES: c1cc[n]2[BH]3[n]4ccc[n]4[V](Cl)([n]12)([n]1ccc[nH]1)([n]1ccc[n]31)=O
• Title of publication: Chloro[hydrotris(pyrazol-1-yl)borato]oxo(1<i>H</i>-pyrazole)vanadium(IV)
• Authors of publication: McLauchlan, Craig C.; McDonald, Kenneth J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2379 - m2381
• a: 8.3295 ± 0.0005 Å
• b: 12.611 ± 0.0008 Å
• c: 15.3711 ± 0.0012 Å
• α: 90°
• β: 94.642 ± 0.006°
• γ: 90°
• Cell volume: 1609.34 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0806
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes