Information card for entry 4314484

Structure parameters

• Formula: C23 H20 Cu N4 O2
• Calculated formula: C23 H20 Cu N4 O2
• SMILES: c1ccc2C(=c3ccc[n]3[Cu]3(OC(=CC(=[O]3)C)C)n12)c1ccc(cc1)n1cncc1
• Title of publication: Assembly of Heteroleptic Copper Complexes with Silver Salts: From Discrete Trinuclear Complexes to Infinite Networks
• Authors of publication: Dmitry Pogozhev; Stéphane A. Baudron; Mir Wais Hosseini
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 331 - 338
• a: 8.6097 ± 0.0002 Å
• b: 10.6165 ± 0.0003 Å
• c: 11.014 ± 0.0003 Å
• α: 82.166 ± 0.001°
• β: 87.979 ± 0.001°
• γ: 88.664 ± 0.001°
• Cell volume: 996.54 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No