Information card for entry 2213554

Structure parameters

• Chemical name: Dipyridine[5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]cobalt(II) pyridine tetrasolvate monohydrate
• Formula: C78 H60 Co N10 O9
• Calculated formula: C78 H58 Co N10 O9
• SMILES: C1(=c2ccc3=C(c4ccc5=C(c6ccc7n6[Co]([n]6ccccc6)(n23)([n]45)([n]2c1ccc2=C7c1ccc(cc1)C(=O)O)[n]1ccccc1)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O)c1ccc(cc1)C(=O)O.n1ccccc1.O.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Dipyridine[5,10,15,20-tetrakis(4-carboxyphenyl)porphyrinato]cobalt(II) pyridine tetrasolvate monohydrate
• Authors of publication: Li, Zong-Sheng; Chai, Jian-She
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1533 - m1535
• a: 19.093 ± 0.004 Å
• b: 19.093 ± 0.004 Å
• c: 16.916 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6167 ± 3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1517
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.3257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes