Information card for entry 4318571

Structure parameters

• Formula: C9 H22 B F4 N3 O
• Calculated formula: C9 H22 B F4 N3 O
• Title of publication: Synthesis and Characterization of Completely Delocalized Mixed-Valent Dicopper Complexes
• Authors of publication: Rajeev Gupta; Zhi Hui Zhang; Douglas Powell; Michael P. Hendrich; A. S. Borovik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5100 - 5106
• a: 8.2346 ± 0.0007 Å
• b: 9.6007 ± 0.0008 Å
• c: 35.983 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2844.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No