Information card for entry 7042299

Structure parameters

• Formula: C37 H33 Cl3 N4 Ni O4
• Calculated formula: C37 H33 Cl3 N4 Ni O4
• SMILES: [Ni]123[N]([C@@H](C(=O)O3)Cc3c[nH]c4c3cccc4)=C(c3cc(Cl)ccc3N1C(=O)[C@@H]1[N]2(CCC1)Cc1cc(Cl)c(Cl)cc1)c1ccccc1.OC
• 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: 10.143 ± 0.006 Å
• b: 9.381 ± 0.005 Å
• c: 17.036 ± 0.009 Å
• α: 90°
• β: 96.513 ± 0.008°
• γ: 90°
• Cell volume: 1610.5 ± 1.5 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: 0.1096
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No