Information card for entry 7212415

Structure parameters

• Formula: C27 H22 Cu N4 O2
• Calculated formula: C27 H22 Cu N4 O2
• SMILES: c1ccc2C(=c3ccc[n]3[Cu]3(OC(=CC(=[O]3)C)C)n12)c1ccc(cc1)c1c[nH]c2c1cccn2
• Title of publication: Combination of hydrogen and coordination bonding for the construction of one-dimensional networks based on a 7-azaindole appended dipyrrin
• Authors of publication: Pogozhev, Dmitry; Baudron, Stéphane A.; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2238
• a: 10.7498 ± 0.0002 Å
• b: 16.8606 ± 0.0003 Å
• c: 24.8963 ± 0.0006 Å
• α: 90°
• β: 99.305 ± 0.001°
• γ: 90°
• Cell volume: 4453.03 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No