Information card for entry 7240788

Structure parameters

• Common name: Penta-fluorobenzoate-tin-porphrin
• Formula: C54 H24 F10 N8 O4 Sn
• Calculated formula: C54 H24 F10 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: 8.7422 ± 0.0003 Å
• b: 12.136 ± 0.0007 Å
• c: 12.4046 ± 0.0005 Å
• α: 60.769 ± 0.005°
• β: 89.027 ± 0.003°
• γ: 86.065 ± 0.004°
• Cell volume: 1145.57 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No