Information card for entry 7240787

Structure parameters

• Common name: p-fluorobenzoate-tin-porphrin
• Formula: C54 H32 F2 N8 O4 Sn
• Calculated formula: C54 H32 F2 N8 O4 Sn
• Title of publication: Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis
• Authors of publication: Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 10.2892 ± 0.0002 Å
• b: 18.7516 ± 0.0003 Å
• c: 11.5557 ± 0.0002 Å
• α: 90°
• β: 99.881 ± 0.002°
• γ: 90°
• Cell volume: 2196.47 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No