Information card for entry 7216268

Structure parameters

• Formula: C74 H51.5 Cu N9.5 O12
• Calculated formula: C47 H29 Cu N5 O3
• SMILES: [Cu]123[n]4c5=C(c6ccc(C(=c7ccc(C(=c8ccc(=C(c4cc5)c4ccc(O)cc4)n18)c1ccc(O)cc1)[n]27)c1ccc(O)cc1)n36)c1ccc2ccccc2n1
• Title of publication: Porphyrin networks. Synthesis and supramolecular self-assembly of 5,10,15-tri(4-hydroxyphenyl)-20-(2-quinolyl) metalloporphyrins
• Authors of publication: Vinodu, Mikki; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 87
• Pages of publication: 490
• a: 10.484 ± 0.0002 Å
• b: 19.531 ± 0.0005 Å
• c: 31.33 ± 0.001 Å
• α: 90°
• β: 93.382 ± 0.0009°
• γ: 90°
• Cell volume: 6404.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1044
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No