Information card for entry 4314487

Structure parameters

• Formula: C28 H27 Cu N5 O4
• Calculated formula: C28 H27 Cu N5 O4
• SMILES: c1ccc2C(=c3ccc[n]3[Cu]3(OC(=C(C(=[O]3)C)C#N)C)n12)c1ccc(cc1)n1cccn1.C1COCCO1
• 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: 7.7529 ± 0.0002 Å
• b: 11.9322 ± 0.0002 Å
• c: 14.8002 ± 0.0004 Å
• α: 84.471 ± 0.001°
• β: 74.825 ± 0.001°
• γ: 72.384 ± 0.001°
• Cell volume: 1259.23 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No