Information card for entry 7001912

Structure parameters

• Formula: C41 H79 Cl N18 Ni2 O5
• Calculated formula: C41 H79 Cl N18 Ni2 O5
• SMILES: C1C[NH]2[C@@H](C)CC(C)(C)[NH]3CC[NH]4[C@@H](C)CC(C)(C)[NH]1[Ni]234([N]#CN=C=N[Ni]123([NH]4C(C[C@H](C)[NH]3CC[NH]2C(C[C@H](C)[NH]1CC4)(C)C)(C)C)N=C=NC#N)N=C=NC#N.Cl(=O)(=O)(=O)[O-].O=CN(C)C
• 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: 9.1505 ± 0.0002 Å
• b: 28.7597 ± 0.0007 Å
• c: 10.268 ± 0.0002 Å
• α: 90°
• β: 104.507 ± 0.002°
• γ: 90°
• Cell volume: 2616.03 ± 0.1 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: 0.0541
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No