Information card for entry 4500413

Structure parameters

• Formula: C22 H48 Cl N5 Ni O6
• Calculated formula: C22 H48 Cl N5 Ni O6
• SMILES: [Ni]1234(OC(=O)[C@H]([NH2]1)CC(C)C)[NH]1CC[NH]4C(C[C@H]([NH]3CC[NH]2C(C)(C[C@H]1C)C)C)(C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: pH Values Dependent Helicity of 1D Homochiral Helical Chains
• Authors of publication: Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 851
• a: 12.3421 ± 0.001 Å
• b: 12.3421 ± 0.001 Å
• c: 18.221 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2775.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1454
• 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