Information card for entry 4306292

Structure parameters

• Formula: C26 H42 N2 Ni P2
• Calculated formula: C26 H40 N2 Ni P2
• SMILES: [Ni]12(#N)[P](c3cc(C)ccc3N1c1ccc(C)cc1[P]2(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: A Dinuclear Ni(I) System Having a Diradical Ni2N2 Diamond Core Resting State: Synthetic, Structural, Spectroscopic Elucidation, and Reductive Bond Splitting Reactions
• Authors of publication: Debashis Adhikari; Susanne Mossin; Falguni Basuli; Benjamin R. Dible; Mircea Chipara; Hongjun Fan; John C. Huffman; Karsten Meyer; Daniel J. Mindiola
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10479 - 10490
• a: 10.255 ± 0.005 Å
• b: 11.072 ± 0.006 Å
• c: 12.208 ± 0.007 Å
• α: 81.333 ± 0.016°
• β: 86.688 ± 0.016°
• γ: 73.011 ± 0.014°
• Cell volume: 1310.4 ± 1.2 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 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: 0.1771
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No