Information card for entry 4102396

Structure parameters

• Formula: C34.41 H40 Ni2 O4.41 P2
• Calculated formula: C34.3884 H40 Ni1.9942 O4.3884 P2
• Title of publication: Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine
• Authors of publication: Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6296 - 6297
• a: 7.1846 ± 0.0013 Å
• b: 25.477 ± 0.004 Å
• c: 9.4217 ± 0.0016 Å
• α: 90°
• β: 100.794 ± 0.011°
• γ: 90°
• Cell volume: 1694.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1479
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No