Information card for entry 2200577

Structure parameters

• Formula: C54 H41 Cl7 N8 O5 Zn
• Calculated formula: C54 H41 Cl7 N8 O5 Zn
• SMILES: [Zn]123([OH]C)[N]4=C5C(=C6[N]3=C(C(=C3[N]2=C(C(=C2[N]1=C(C(=C4C=C5)c1ccccc1NC(=O)CCl)C=C2)c1ccccc1NC(=O)CCl)C=C3)c1ccccc1NC(=O)CCl)C=C6)c1ccccc1NC(=O)CCl.ClC(Cl)Cl
• Title of publication: (Methanol){α-5,10,15:β-20-tetrakis[2-(chloroacetamido)phenyl]porphyrin}zinc(II) chloroform solvate
• Authors of publication: Ricard, David; Richard, Philippe; Boitrel, Bernard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: m404 - m406
• a: 13.078 ± 0.006 Å
• b: 17.899 ± 0.007 Å
• c: 22.79 ± 0.09 Å
• α: 90°
• β: 105.009 ± 0.002°
• γ: 90°
• Cell volume: 5153 ± 2 ų
• Cell temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes