Information card for entry 4500411

Structure parameters

• Formula: C24 H53 Cl N6 Ni O7
• Calculated formula: C24 H51 Cl N6 Ni O7
• SMILES: [Ni]1234([NH]5CC[NH]1[C@H](CC([NH]2CC[NH]3[C@H](CC5(C)C)C)(C)C)C)OC(=O)[C@@H](CC(C)C)[NH2]4.Cl(=O)(=O)(=O)[O-].C(#N)C.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: 9.4346 ± 0.0013 Å
• b: 14.612 ± 0.002 Å
• c: 11.3735 ± 0.0016 Å
• α: 90°
• β: 95.137 ± 0.002°
• γ: 90°
• Cell volume: 1561.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No