Information card for entry 7001915

Structure parameters

• Formula: C20 H36 N10 Ni
• Calculated formula: C20 H36 N10 Ni
• SMILES: [Ni]123(N=C=NC#N)([NH]4C(C)(C)C[C@H]([NH]3CC[NH]2C(C[C@H]([NH]1CC4)C)(C)C)C)N=C=NC#N
• Title of publication: Constructions of 1D helical chains with left-handed/right-handed helicity: a correlation between the helicity of 1D chains and the chirality of building blocks
• Authors of publication: Zheng, Xiao-Dan; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 34
• Pages of publication: 6802 - 6808
• a: 7.4086 ± 0.0001 Å
• b: 18.727 ± 0.0002 Å
• c: 8.8943 ± 0.0001 Å
• α: 90°
• β: 106.818 ± 0.001°
• γ: 90°
• Cell volume: 1181.22 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No