Information card for entry 7203303

Structure parameters

• Formula: C45 H31 Cl Mn N4 O5
• Calculated formula: C45 H31 Cl Mn N4 O5
• SMILES: [Mn]123([n]4c5=C(c6ccc(C(=c7ccc(C(=c8ccc(=C(c4cc5)c4ccc(cc4)O)n18)c1ccc(cc1)O)[n]27)c1ccc(cc1)O)n36)c1ccc(cc1)O)(Cl)[OH]C
• Title of publication: Porphyrin network solids: examples of supramolecular isomerism, noncentrosymmetric architectures and competing solvation
• Authors of publication: George, Sumod; Lipstman, Sophia; Muniappan, Sankar; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 417
• a: 19.8264 ± 0.0005 Å
• b: 19.8264 ± 0.0005 Å
• c: 9.446 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3713.09 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No