Information card for entry 2007850

Structure parameters

• Chemical name: Dichloro(tetrahydrofuran-O)[tris(1-pyrazolyl-N^2^)borato]vanadium(III)
• Formula: C13 H18 B Cl2 N6 O V
• Calculated formula: C13 H18 B Cl2 N6 O V
• SMILES: [V]12(Cl)(Cl)([O]3CCCC3)[n]3n([BH](n4[n]2ccc4)n4[n]1ccc4)ccc3
• Title of publication: Dichloro(tetrahydrofuran-<i>O</i>)[tris(1-pyrazolyl-<i>N</i>^2^)borato]vanadium(III)
• Authors of publication: Rehder, Dieter; Gailus, Hartmut; Schmidt, Hauke
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1590 - 1592
• a: 8.553 ± 0.004 Å
• b: 12.86 ± 0.005 Å
• c: 15.53 ± 0.007 Å
• α: 90°
• β: 104.08 ± 0.04°
• γ: 90°
• Cell volume: 1656.9 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections: 0.151
• Weighted residual factors for significantly intense reflections: 0.136
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No