Information card for entry 2201143

Structure parameters

• Formula: C45 H32 Cl2 Co N5 O3
• Calculated formula: C45 H32 Cl2 Co N5 O3
• SMILES: [Co]123([OH2])(N(=O)=O)[N]4C5=C(C6=[N]3C(=C(C3=[N]2C(=C(C2=[N]1C(=C(C=4C=C5)c1ccccc1)C=C2)c1ccccc1)C=C3)c1ccccc1)C=C6)c1ccccc1.ClCCl
• Title of publication: Aquanitro(α,β,γ,δ-tetraphenylporphyrinato)cobalt(III) dichloromethane solvate
• Authors of publication: Ohba, Shigeru; Seki, Hiroshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m169 - m171
• a: 14.713 ± 0.003 Å
• b: 19.54 ± 0.006 Å
• c: 13.413 ± 0.004 Å
• α: 90°
• β: 101.74 ± 0.02°
• γ: 90°
• Cell volume: 3775.5 ± 1.8 ų
• Cell temperature: 297 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.3167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes