Information card for entry 4500412

Structure parameters

• Formula: C22 H48 Cl N5 Ni O6
• Calculated formula: C22 H48 Cl N5 Ni O6
• SMILES: C1C[NH]2[C@@H](C)CC(C)(C)[NH]3CC[NH]4[C@@H](C)CC(C)(C)[NH]1[Ni]1234[NH2][C@H](C(=O)O1)CC(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: 12.352 ± 0.002 Å
• b: 12.352 ± 0.002 Å
• c: 18.238 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2782.6 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.1027
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No