Information card for entry 7042301

Structure parameters

• Formula: C28 H27 N3 Ni O3
• Calculated formula: C28 H27 N3 Ni O3
• SMILES: [Ni]123[N]([C@H](C(=O)O1)C)=C(c1ccccc1N2C(=O)[C@H]1[N]3(CCC1)Cc1ccccc1)c1ccccc1
• 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: 9.7857 ± 0.0008 Å
• b: 9.8844 ± 0.0008 Å
• c: 25.741 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2489.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0589
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No