Information card for entry 4307785

Structure parameters

• Formula: C20 H40 N8 Ni2 O2
• Calculated formula: C20 H40 N8 Ni2 O2
• 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]#C[Ni](C#N)(C#N)C#N)[OH2].O
• Title of publication: Interchain-Solvent-Induced Chirality Change of 1D Helical Chains: From Achiral to Chiral Crystallization
• Authors of publication: Long Jiang; Xiao-Long Feng; Cheng-Yong Su; Xiao-Ming Chen; Tong-Bu Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2637 - 2644
• a: 8.8452 ± 0.0014 Å
• b: 14.816 ± 0.003 Å
• c: 10.0445 ± 0.0016 Å
• α: 90°
• β: 95.136 ± 0.003°
• γ: 90°
• Cell volume: 1311.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No