Information card for entry 2015599

Structure parameters

• Chemical name: Poly[[[μ-5,10,15,20-tetrakis(4-carbomethoxyphenyl)porphyrinato(2-)]zinc(II)] N,N'-dimethylacetamide disolvate]
• Formula: C60 H54 N6 O10 Zn
• Calculated formula: C60 H54 N6 O10 Zn
• SMILES: c12=C(c3ccc4C(=c5ccc6C(=c7ccc8=C(c(cc1)[n]2[Zn](n78)([n]56)n34)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC)c1ccc(cc1)C(=O)OC.CN(C(=O)C)C.C(=O)(C)N(C)C
• Title of publication: Poly[[[μ-5,10,15,20-tetrakis(4-methoxycarbonylphenyl)porphyrinato(2‒)]zinc(II)] <i>N</i>,<i>N</i>'-dimethylacetamide disolvate]
• Authors of publication: Sankar Muniappan; Sophia Lipstman; Israel Goldberg
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m495 - m497
• a: 13.8014 ± 0.0004 Å
• b: 8.903 ± 0.0004 Å
• c: 21.1399 ± 0.0009 Å
• α: 90°
• β: 91.675 ± 0.003°
• γ: 90°
• Cell volume: 2596.43 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes