Information card for entry 7229429

Structure parameters

• Formula: C62 H34 Mn N6
• Calculated formula: C62 H34 Mn N6
• Title of publication: New meso-substituted trans-A2B2 porphyrins: Synthesis and structure of their metal-mediated supramolecular assemblies†
• Authors of publication: Goswami, Soumyabrata; Tripuramallu, Bharat Kumar; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 16.87 ± 0.0014 Å
• b: 13.4875 ± 0.001 Å
• c: 21.6035 ± 0.0017 Å
• α: 90°
• β: 103.001 ± 0.002°
• γ: 90°
• Cell volume: 4789.5 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.1444
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1945
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No