Information card for entry 7042300

Structure parameters

• Formula: C27 H22 Cl3 N3 Ni O3
• Calculated formula: C27 H22 Cl3 N3 Ni O3
• SMILES: [Ni]123N(c4c(C(=[N]1CC(=O)O3)c1ccccc1)cc(Cl)cc4)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: 11.0422 ± 0.0014 Å
• b: 7.6034 ± 0.001 Å
• c: 15.9516 ± 0.0019 Å
• α: 90°
• β: 100.367 ± 0.003°
• γ: 90°
• Cell volume: 1317.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No