Information card for entry 4102394

Structure parameters

• Formula: C30 H40 Ni P2
• Calculated formula: C30 H40 Ni P2
• SMILES: [Ni]123[P](c4ccccc4C4=CC=C([CH]3=[CH]24)c2ccccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• 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: 8.577 ± 0.0003 Å
• b: 14.8684 ± 0.0005 Å
• c: 21.6483 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2760.73 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.311
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No