Information card for entry 4500989

Structure parameters

• Formula: C18 H56 Ge4 N12 Ni2 O S10
• Calculated formula: C18 H56 Ge4 N12 Ni2 O S10
• SMILES: [Ge]12([S-])S[Ge]3(S[Ge](S1)(S[Ge](S2)(S3)[S-])[S-])[S-].[Ni]1234([NH2]CC[NH]1CC[NH]2CC[NH2]3)[NH2]CC[NH]4CC[NH]1[Ni]234([NH2]CC[NH]2CC[NH]3CC[NH2]4)[NH2]CC1.O
• Title of publication: Spontaneous Resolution of a New Thiogermanate Containing Chiral Binuclear Nickel(II) Complexes with Achiral Triethylenetetramine Ligands: A Unique Water-Mediated Supramolecular Hybrid Helix
• Authors of publication: Liu, Guang-Ning; Lin, Jian-Di; Xu, Zhong-Ning; Liu, Zhi-Fa; Guo, Guo-Cong; Huang, Jin-Shun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3318
• a: 12.1799 ± 0.0007 Å
• b: 16.0955 ± 0.0012 Å
• c: 21.5932 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4233.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.078
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No