Information card for entry 7229431

Structure parameters

• Formula: C62 H34 Co N6
• Calculated formula: C62 H34 Co 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: 16.8011 ± 0.0019 Å
• b: 13.6677 ± 0.0015 Å
• c: 21.395 ± 0.002 Å
• α: 90°
• β: 103.239 ± 0.004°
• γ: 90°
• Cell volume: 4782.4 ± 0.9 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: 0.101
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No