Information card for entry 4335593

Structure parameters

• Formula: C38 H58 Cl2 N2 Ni O2 P2
• Calculated formula: C38 H58 Cl2 N2 Ni O2 P2
• Title of publication: Functionalization Reactions Characteristic of a Robust Bicyclic Diphosphane Framework
• Authors of publication: Daniel Tofan; Manuel Temprado; Subhojit Majumdar; Carl D. Hoff; Christopher C. Cummins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8851 - 8864
• a: 9.5206 ± 0.0007 Å
• b: 16.9847 ± 0.0014 Å
• c: 23.9758 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3877 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No