Information card for entry 7017695

Structure parameters

• Formula: C28 H37 N2 Ni P
• Calculated formula: C28 H37 N2 Ni P
• SMILES: [Ni]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N1CC[N]2(C)C)CCCCCC
• Title of publication: Nickel complexes incorporating an amido phosphine chelate with a pendant amine arm: synthesis, structure, and catalytic Kumada coupling.
• Authors of publication: Liang, Lan-Chang; Lee, Wei-Ying; Hung, Yu-Ting; Hsiao, Yi-Chen; Cheng, Liang-Chien; Chen, Wei-Chen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1381 - 1388
• a: 9.7598 ± 0.0003 Å
• b: 10.5483 ± 0.0002 Å
• c: 14.2416 ± 0.0004 Å
• α: 68.739 ± 0.002°
• β: 73.946 ± 0.001°
• γ: 89.146 ± 0.001°
• Cell volume: 1307.11 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0983
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No