Information card for entry 4319116

Structure parameters

• Common name: 97267
• Formula: C40 H34 B Cl2 Cu N6
• Calculated formula: C40 H34 B Cl2 Cu N6
• Title of publication: Copper(I) Chemistry of Bis(pyrazolyl)diphenylborate Ligands: Formation of a Heterocycle by Cu-Mediated Acetonitrile Addition
• Authors of publication: Jamie L. Schneider; Victor G. Young; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 165 - 168
• a: 9.8701 ± 0.0002 Å
• b: 14.0583 ± 0.0002 Å
• c: 26.1718 ± 0.0003 Å
• α: 90°
• β: 99.692 ± 0.001°
• γ: 90°
• Cell volume: 3579.68 ± 0.1 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 2 K
• Number of distinct elements: 6
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.0784
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No