Information card for entry 4319118

Structure parameters

• Common name: 99114
• Formula: C61 H66 B3 Cl2 Cu2 F6 N10 Sb
• Calculated formula: C61 H66 B3 Cl2 Cu2 F6 N10 Sb
• 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: 12.9617 ± 0.001 Å
• b: 35.929 ± 0.003 Å
• c: 14.1137 ± 0.0011 Å
• α: 90°
• β: 93.619 ± 0.002°
• γ: 90°
• Cell volume: 6559.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.12
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections: 0.1668
• Weighted residual factors for significantly intense reflections: 0.1469
• Goodness-of-fit parameter for all reflections: 0.966
• Goodness-of-fit parameter for significantly intense reflections: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No