Information card for entry 8101903

Structure parameters

• Chemical name: tetrakis(3,5-dimethoxyphenyl)porphyrin-copper(II) methylene chloride disolvate
• Formula: C53.94 H47.87 Cl3.87 Cu N4 O8
• Calculated formula: C53.936 H47.872 Cl3.872 Cu N4 O8
• Title of publication: Crystal structures of the methylene chloride disolvates of tetrakis (3,5-dimethoxyphenyl)porphyrin and its isotypic copper(II) and nickel(II) complexes, C~52~H~46~N~4~O~8~ · ~2~CH~2~Cl~2~, Cu(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~, Ni(C~52~H~44~N~4~O~8~) · ~2~CH~2~Cl~2~
• Authors of publication: Zeller, M.; DiMuzio, S. J.; Bee, K.; Clemente, J.; Frederick, J.; Fucci, A.; Gordon, L.; Harper, A.; Kasmar, A.; Kasmar, C.; Polomsky, S.; Simmons, A.; Smallsreed, D.; Underwood, T.; Hunter, A. D.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 15 - 19
• a: 11.2204 ± 0.0005 Å
• b: 11.3499 ± 0.0006 Å
• c: 11.761 ± 0.0006 Å
• α: 109.187 ± 0.001°
• β: 100.83 ± 0.001°
• γ: 110.681 ± 0.001°
• Cell volume: 1242.64 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No