Information card for entry 7200934

Structure parameters

• Formula: C40 H40 Cu N6 O4
• Calculated formula: C40 H40 Cu N6 O4
• SMILES: c1ccc2C(=c3[n]([Cu]4(n12)[n]1cccc1=C(c1cccn41)c1ccc(cc1)C(=O)N)ccc3)c1ccc(cc1)C(=O)N.O1CCCC1.O1CCCC1
• Title of publication: Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding
• Authors of publication: Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1245
• a: 22.9322 ± 0.0012 Å
• b: 15.8716 ± 0.0008 Å
• c: 10.2807 ± 0.0005 Å
• α: 90°
• β: 105.494 ± 0.001°
• γ: 90°
• Cell volume: 3605.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No