Information card for entry 7016345

Structure parameters

• Formula: C32 H37 N Ni P2
• Calculated formula: C32 H37 N Ni P2
• SMILES: [NiH]12[P](c3c(N2c2ccc(C)cc2[P]1(C(C)C)C(C)C)ccc(C)c3)(c1ccccc1)c1ccccc1
• Title of publication: Unsymmetrical (R)PNP(R') pincer ligands and their group 10 complexes.
• Authors of publication: Lansing, Raymond B.; Goldberg, Karen I.; Kemp, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8950 - 8958
• a: 12.3808 ± 0.0008 Å
• b: 14.901 ± 0.001 Å
• c: 18.6532 ± 0.0011 Å
• α: 90°
• β: 122.533 ± 0.004°
• γ: 90°
• Cell volume: 2901.3 ± 0.3 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No