Information card for entry 4327536

Structure parameters

• Formula: C29 H32 Cu N8 O10
• Calculated formula: C29 H22 Cu N8 O10
• SMILES: [Cu](OC(=O)C)(OC(=O)C)([OH2])([n]1ccc(cc1)c1oc(nn1)c1ccncc1)[n]1ccc(c2oc(nn2)c2ccncc2)cc1.O.O.OC
• Title of publication: First CuII Diamondoid Net with 2-Fold Interpenetrating Frameworks. The Role of Anions in the Construction of the Supramolecular Arrays
• Authors of publication: Miao Du; Xian-He Bu; Ya-Mei Guo; He Liu; Stuart R. Batten; Joan Ribas; Thomas C. W. Mak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4904 - 4908
• a: 7.847 ± 0.002 Å
• b: 13.189 ± 0.004 Å
• c: 15.948 ± 0.005 Å
• α: 75.225 ± 0.007°
• β: 79.945 ± 0.006°
• γ: 77.54 ± 0.005°
• Cell volume: 1545.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No