Information card for entry 7229435

Structure parameters

• Formula: C42 H24 Mn N8 O4
• Calculated formula: C42 H24 Mn N8 O4
• 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: 16.9401 ± 0.0009 Å
• b: 13.6509 ± 0.0007 Å
• c: 17.6168 ± 0.001 Å
• α: 90°
• β: 101.995 ± 0.002°
• γ: 90°
• Cell volume: 3984.9 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0668
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1272
• 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