Information card for entry 4315736

Structure parameters

• Formula: C40 H37 B Cu F4 N O2 P2
• Calculated formula: C40 H37 B Cu F4 N O2 P2
• SMILES: [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1OC)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: Characterization of A New Copper(I)-Nitrito Complex That Evolves Nitric Oxide
• Authors of publication: Wan-Jung Chuang; I-Jung Lin; Hsing-Yin Chen; Yu-Lun Chang; Sodio C. N. Hsu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5377 - 5384
• a: 10.7243 ± 0.0002 Å
• b: 13.0834 ± 0.0002 Å
• c: 14.5137 ± 0.0002 Å
• α: 92.965 ± 0.001°
• β: 97.883 ± 0.001°
• γ: 107.995 ± 0.001°
• Cell volume: 1908.91 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No