Information card for entry 4347044

Structure parameters

• Formula: C25 H64 Cu8 N3 Na5 O58
• Calculated formula: C25 H64 Cu8 N3 Na5 O58
• SMILES: [Cu]123OC(=O)[C@@H]4[O]1[Cu]1(OC(=O)[C@@H]4O)[O]4[Cu]56([O]78[Cu]9(OC(=O)[C@H]8[C@@H]4C(=O)O1)OC(=O)[C@@H]1[O]9[Cu]48([O]9[Cu]%10([O]%11[Cu]%12(OC(=O)[C@H]%11[C@@H](O)C(=O)O%10)[O]8[C@H]1C(=O)O%12)OC(=O)[C@H]9[C@H]1[O]4[Cu]47(OC1=O)[O]6[C@H]([C@@H]([O]35)C(=O)O2)C(=O)O4)[OH2])[OH2].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.NC(=[NH2+])N
• Title of publication: Enantiomerically Pure Chiral {Cu(II)32}-Based 2D-Layered Frameworks: From the Asymmetric Octacopper(II) Subcomponents to 3D Hierarchical Supramolecular Structures.
• Authors of publication: Meng, Wei; Xu, Feng; Xu, Weijian
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2673 - 2675
• a: 16.3201 ± 0.0016 Å
• b: 16.3201 ± 0.0016 Å
• c: 47.25 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12585 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No