Information card for entry 7709828

Structure parameters

• Formula: C43 H39 Cl2 N5 Ni O4
• Calculated formula: C43 H39 Cl2 N5 Ni O4
• Title of publication: Nickel(II) complexes containing tridentate ONCi Ligands (i = abnormal N-heterocyclic carbene donors) and their catalytic application in Suzuki-Miyaura coupling reaction
• Authors of publication: Lee, Jhen-Yi; Hsieh, Meng-Jun; Ho, Tsai-En; Wu, Bo-Hsin; Lee, Hon Man
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.621 ± 0.003 Å
• b: 11.825 ± 0.002 Å
• c: 20.184 ± 0.004 Å
• α: 90°
• β: 99.4 ± 0.004°
• γ: 90°
• Cell volume: 3913.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0764
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No