Information card for entry 2231394

Structure parameters

• Chemical name: {<i>meso</i>-Tetrakis[<i>p</i>-(heptyloxy)phenyl]porphyrinato}silver(II)
• Formula: C72 H84 Ag N4 O4
• Calculated formula: C72 H84 Ag N4 O4
• SMILES: [Ag]123[n]4c5=C(c6n3c(C(=c3ccc([n]13)C(=c1n2c(=C(c4cc5)c2ccc(OCCCCCCC)cc2)cc1)c1ccc(OCCCCCCC)cc1)c1ccc(OCCCCCCC)cc1)cc6)c1ccc(OCCCCCCC)cc1
• Title of publication: {<i>meso</i>-Tetrakis[<i>p</i>-(heptyloxy)phenyl]porphyrinato}silver(II)
• Authors of publication: Liao, Jun-Xu; Zhao, Hong-Bin; Yang, De-Liang; Chen, Liang; Wang, Bang-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1316
• a: 15.85 ± 0.001 Å
• b: 19.1896 ± 0.0012 Å
• c: 10.3285 ± 0.0007 Å
• α: 90°
• β: 91.724 ± 0.001°
• γ: 90°
• Cell volume: 3140 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes