Information card for entry 4306289

Structure parameters

• Formula: C54 H85 N2 Ni2 O0.5 P4
• Calculated formula: C54 H83 N2 Ni2 O0.5 P4
• 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: 20.812 ± 0.0019 Å
• b: 10.7704 ± 0.001 Å
• c: 23.604 ± 0.002 Å
• α: 90°
• β: 98.806 ± 0.004°
• γ: 90°
• Cell volume: 5228.6 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No