Information card for entry 4304596

Structure parameters

• Formula: C66 H130 Cl4 N14 Ni3 O21
• Calculated formula: C66 H128 Cl4 N14 Ni3 O21
• SMILES: [Ni]1234(OC(=[O][Ni]567([NH]8CC[NH]5[C@@H](CC([NH]7CC[NH]6[C@@H](CC8(C)C)C)(C)C)C)[OH2])[C@@H]([NH2]3)Cc3ccccc3)[NH]3CC[NH]4C(C[C@H]([NH]2CC[NH]1C(C)(C)C[C@H]3C)C)(C)C.[Ni]1234([NH]5CC[NH]2[C@@H](CC([NH]4CC[NH]1[C@@H](CC5(C)C)C)(C)C)C)OC(=O)[C@@H]([NH2]3)Cc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Spontaneous Resolution of a Racemic Nickel(II) Complex and Helicity Induction via Hydrogen Bonding: The Effect of Chiral Building Blocks on the Helicity of One-Dimensional Chains
• Authors of publication: Guang-Chuan Ou; Long Jiang; Xiao-Long Feng; Tong-Bu Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2710 - 2718
• a: 14.993 ± 0.003 Å
• b: 18.324 ± 0.004 Å
• c: 30.432 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8361 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1252
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No