Information card for entry 4306291

Structure parameters

• Formula: C26 H41 N Ni O P2
• Calculated formula: C26 H40 N Ni O P2
• 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: 11.0059 ± 0.0017 Å
• b: 19.575 ± 0.003 Å
• c: 12.2036 ± 0.0019 Å
• α: 90°
• β: 98.583 ± 0.004°
• γ: 90°
• Cell volume: 2599.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No