Information card for entry 4314037

Structure parameters

• Formula: C50 H65 B Li N4 P2
• Calculated formula: C50 H65 B Li N4 P2
• Title of publication: Bis(phosphino)borates: A New Family of Monoanionic Chelating Phosphine Ligands
• Authors of publication: J. Christopher Thomas; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5055 - 5073
• a: 11.7922 ± 0.0006 Å
• b: 11.7081 ± 0.0006 Å
• c: 33.1336 ± 0.0018 Å
• α: 90°
• β: 94.062 ± 0.001°
• γ: 90°
• Cell volume: 4563.1 ± 0.4 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No