Information card for entry 1548580

Structure parameters

• Formula: C44 H38.72 N6 O10.36 S2
• Calculated formula: C44 H30 N6 O10.359 S2
• Title of publication: Solid-state Porphyrin Interactions with Oppositely Charged Peripheral Groups
• Authors of publication: W. Robert Scheidt; Beisong Cheng; Allen G. Oliver; John A. Goodwin
• Journal of publication: Journal of Porphyrins and Phthalocyanines
• Year of publication: 2015
• Journal volume: 19
• Pages of publication: 1256 - 1261
• a: 8.506 ± 0.002 Å
• b: 16.426 ± 0.003 Å
• c: 29.288 ± 0.003 Å
• α: 90°
• β: 91.98 ± 0.01°
• γ: 90°
• Cell volume: 4089.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1368
• Residual factor for significantly intense reflections: 0.1107
• Weighted residual factors for significantly intense reflections: 0.3006
• Weighted residual factors for all reflections included in the refinement: 0.3331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.913
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No