Information card for entry 4307204

Structure parameters

• Common name: (PNP)2Ni
• Formula: C54 H54 N2 Ni P4
• Calculated formula: C54 H54 N2 Ni P4
• SMILES: [Ni]12([P](CN(C[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)[P](CN(C[P]2(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Studies of Structural Effects on the Half-Wave Potentials of Mononuclear and Dinuclear Nickel(II) Diphosphine/Dithiolate Complexes
• Authors of publication: Kendra Redin; Aaron D. Wilson; Rachel Newell; M. Rakowski DuBois; Daniel L. DuBois
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1268 - 1276
• a: 10.7942 ± 0.0005 Å
• b: 25.6412 ± 0.0011 Å
• c: 17.261 ± 0.0007 Å
• α: 90°
• β: 98.174 ± 0.001°
• γ: 90°
• Cell volume: 4728.9 ± 0.4 ų
• Cell temperature: 157 ± 2 K
• Ambient diffraction temperature: 157 ± 2 K
• Number of distinct elements: 5
• 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: 0.0657
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No