Information card for entry 7045056

Structure parameters

• Formula: C38 H35 N4 O5
• Calculated formula: C38 H35 N4 O5
• Title of publication: Supramolecular frameworks based on 5,10,15,20-tetra(4-carboxyphenyl)porphyrins.
• Authors of publication: Morshedi, Mahbod; Ward, Jas S.; Kruger, Paul E.; White, Nicholas G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 783 - 790
• a: 14.7549 ± 0.0005 Å
• b: 7.3113 ± 0.0003 Å
• c: 30.7507 ± 0.0012 Å
• α: 90°
• β: 92.163 ± 0.004°
• γ: 90°
• Cell volume: 3314.9 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9936
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No