Information card for entry 7017696

Structure parameters

• Formula: C22 H24 Br N2 Ni P
• Calculated formula: C22 H24 Br N2 Ni P
• SMILES: Br[Ni]12[P](c3ccccc3)(c3ccccc3)c3ccccc3N1CC[N]2(C)C
• 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: 9.1844 ± 0.0004 Å
• b: 11.8541 ± 0.0005 Å
• c: 18.9047 ± 0.001 Å
• α: 90°
• β: 91.546 ± 0.002°
• γ: 90°
• Cell volume: 2057.46 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1434
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No