Information card for entry 7223978

Structure parameters

• Formula: C63.4 H52.8 N4 O2 Sn
• Calculated formula: C63.4 H52.8 N4 O2 Sn
• Title of publication: Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals
• Authors of publication: Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1515
• a: 36.4984 ± 0.0017 Å
• b: 36.4984 ± 0.0017 Å
• c: 10.5148 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12130.5 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No