Information card for entry 7052330

Structure parameters

• Formula: C11 H16 Cu N6 O10
• Calculated formula: C11 H16 Cu N6 O10
• Title of publication: Exploring conformationally flexible hydrogen-bond-functionalized ligand and counter anions in metal?organic frameworks of Cu(ii)
• Authors of publication: Krishna Kumar, D.; Das, Amitava; Dastidar, Parthasarathi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 1267
• a: 8.3292 ± 0.0007 Å
• b: 9.7989 ± 0.0008 Å
• c: 13.155 ± 0.001 Å
• α: 80.124 ± 0.001°
• β: 74.892 ± 0.001°
• γ: 88.202 ± 0.001°
• Cell volume: 1021.1 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0495
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No