Information card for entry 2216714

Structure parameters

• Chemical name: [5,10,15,20-Tetrakis(2,6-dimethoxyphenyl)porphyrinato]zinc(II) dichloromethane tetrasolvate
• Formula: C56 H52 Cl8 N4 O8 Zn
• Calculated formula: C56 H52 Cl8 N4 O8 Zn
• SMILES: c12=C(c3ccc4C(=c5ccc6[n]5[Zn]5([n]2c(cc1)C(=c1ccc(=C6c2c(OC)cccc2OC)n51)c1c(OC)cccc1OC)n34)c1c(OC)cccc1OC)c1c(OC)cccc1OC.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: [5,10,15,20-Tetrakis(2,6-dimethoxyphenyl)porphyrinato]zinc(II) dichloromethane tetrasolvate
• Authors of publication: Conrad, Diane; DeCoskey, Jennifer; Mock, Samantha; Noll, Bruce C.; Petrovic, Jelena; Zovinka, Edward P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3058 - m3058
• a: 13.509 ± 0.0005 Å
• b: 15.0743 ± 0.0006 Å
• c: 14.1788 ± 0.0004 Å
• α: 90°
• β: 110.547 ± 0.001°
• γ: 90°
• Cell volume: 2703.67 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes