Information card for entry 4116267

Structure parameters

• Formula: C30 H48 Li N2 O5 P2
• Calculated formula: C30 H48 Li N2 O5 P2
• Title of publication: One-Electron Reduction Product of a Biphosphinine Derivative and of Its Ni(0) Complex: Crystal Structure, EPR/ENDOR, and DFT Investigations on (tmbp).- and [Ni(tmbp)2].-
• Authors of publication: Sylvie Choua; Helena Sidorenkova; Théo Berclaz; Michel Geoffroy; Patrick Rosa; Nicolas Mézailles; Louis Ricard; François Mathey; Pascal Le Floch
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 12227 - 12234
• a: 11.5316 ± 0.0006 Å
• b: 11.5497 ± 0.0005 Å
• c: 13.0148 ± 0.0004 Å
• α: 74.998 ± 0.003°
• β: 74.883 ± 0.003°
• γ: 72.182 ± 0.002°
• Cell volume: 1562.62 ± 0.12 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No