Information card for entry 2229327

Structure parameters

• Chemical name: Dichlorido(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)[hydrotris(3,5- dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]chromium(III) tetrahydrofuran monosolvate
• Formula: C24 H38 B Cl2 Cr N8 O
• Calculated formula: C24 H38 B Cl2 Cr N8 O
• SMILES: [Cr]12(Cl)(Cl)([n]3n([BH](n4[n]1c(C)cc4C)n1[n]2c(C)cc1C)c(cc3C)C)[n]1[nH]c(cc1C)C.O1CCCC1
• Title of publication: Dichlorido(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)[hydrotris(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)borato]chromium(III) tetrahydrofuran monosolvate
• Authors of publication: Yuan, Li-Li; Chen, Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m349
• a: 10.9417 ± 0.0013 Å
• b: 11.1563 ± 0.0013 Å
• c: 24.036 ± 0.003 Å
• α: 90°
• β: 96.381 ± 0.002°
• γ: 90°
• Cell volume: 2915.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0956
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.325
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes