Information card for entry 7214717

Structure parameters

• Formula: C8 H7 Cu N3 O4
• Calculated formula: C8 H7 Cu N3 O4
• Title of publication: Comprehensive studies of non-covalent interactions within four new Cu(ii) supramolecules
• Authors of publication: Mirzaei, M.; Eshtiagh-Hosseini, H.; Chahkandi, M.; Alfi, N.; Shokrollahi, A.; Shokrollahi, N.; Janiak, A.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8468
• a: 10.0366 ± 0.0007 Å
• b: 9.1255 ± 0.0007 Å
• c: 10.2985 ± 0.0007 Å
• α: 90°
• β: 95.832 ± 0.005°
• γ: 90°
• Cell volume: 938.35 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No