Information card for entry 4102393

Structure parameters

• Formula: C36 H46 Cl2 Ni2 P2
• Calculated formula: C36 H46 Cl2 Ni2 P2
• SMILES: [Ni]12345[Ni]67([Cl]1)([Cl]2)[P](c1c([C]26C=C[C]4(c4c([P]3(C(C)C)C(C)C)cccc4)=[CH]5[CH]7=2)cccc1)(C(C)C)C(C)C.c1ccccc1
• 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: 9.673 ± 0.0005 Å
• b: 12.8755 ± 0.0006 Å
• c: 14.3392 ± 0.0007 Å
• α: 102.753 ± 0.003°
• β: 99.036 ± 0.003°
• γ: 91.5 ± 0.003°
• Cell volume: 1716.76 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 2.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No