Information card for entry 7709829

Structure parameters

• Formula: C29 H23 F N4 Ni O2
• Calculated formula: C29 H23 F N4 Ni O2
• SMILES: [Ni]12(Oc3c(N1C(=O)Cn1c2c[n+](c1c1ccccc1)Cc1ccc(F)cc1)cccc3)[n]1ccccc1
• 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: 10.403 ± 0.006 Å
• b: 27.246 ± 0.014 Å
• c: 8.775 ± 0.005 Å
• α: 90°
• β: 102.236 ± 0.015°
• γ: 90°
• Cell volume: 2431 ± 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: 0.1377
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No