Information card for entry 7203540

Structure parameters

• Formula: C76 H56 Cu N8 O12
• Calculated formula: C76 H56 Cu N8 O12
• SMILES: [Cu]123[n]4c5=C(c6ccc(C(=c7ccc(C(=c8ccc(=C(c4cc5)c4ccc(cc4)C(=O)O)n18)c1ccc(cc1)C(=O)O)[n]27)c1ccc(cc1)C(=O)O)n36)c1ccc(cc1)C(=O)O.c1(ccncc1)C(=O)C.c1(ccncc1)C(=O)C.c1(ccncc1)C(=O)C.c1(ccncc1)C(=O)C
• Title of publication: The effects of strong Lewis-base reagents on supramolecular hydrogen bonding of meso-tetra(carboxyphenyl)porphyrins
• Authors of publication: Lipstman, Sophia; Muniappan, Sankar; George, Sumod; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 601
• a: 38.7756 ± 0.0005 Å
• b: 28.6296 ± 0.0005 Å
• c: 19.9225 ± 0.0003 Å
• α: 90°
• β: 94.3539 ± 0.001°
• γ: 90°
• Cell volume: 22052.7 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1027
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No