Information card for entry 1508120

Structure parameters

• Formula: C32 H26 Cu2 N4 O18
• Calculated formula: C32 H26 Cu2 N4 O18
• SMILES: [Cu]1234([Cu]([O]=C(O2)c2ccc(N(=O)=O)cc2)(OC(=[O]1)c1ccc(N(=O)=O)cc1)([O]=C(O4)c1ccc(N(=O)=O)cc1)(OC(=[O]3)c1ccc(N(=O)=O)cc1)OCC)OCC
• Title of publication: Bridging-ligand-substitution strategy for the preparation of metal-organic polyhedra.
• Authors of publication: Li, Jian-Rong; Zhou, Hong-Cai
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 893 - 898
• a: 6.5901 ± 0.0011 Å
• b: 10.8797 ± 0.0019 Å
• c: 12.487 ± 0.002 Å
• α: 93.149 ± 0.002°
• β: 103.646 ± 0.002°
• γ: 94.092 ± 0.002°
• Cell volume: 865.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No