Information card for entry 7042298

Structure parameters

• Formula: C31 H30 Cl3 N3 Ni O3
• Calculated formula: C31 H30 Cl3 N3 Ni O3
• SMILES: [Ni]123N(c4ccc(Cl)cc4C(=[N]3[C@@H](C(C)(C)C)C(=O)O1)c1ccccc1)C(=O)[C@H]1[N]2(CCC1)Cc1ccc(Cl)c(Cl)c1
• Title of publication: Analysis of crystallographic structures of Ni(ii) complexes of α-amino acid Schiff bases: elucidation of the substituent effect on stereochemical preferences.
• Authors of publication: Nian, Yong; Wang, Jiang; Moriwaki, Hiroki; Soloshonok, Vadim A.; Liu, Hong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 4191 - 4198
• a: 7.844 ± 0.002 Å
• b: 10.872 ± 0.002 Å
• c: 34.637 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2953.8 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No