Information card for entry 7232123

Structure parameters

• Common name: 3,5-Difluoromobenzoate-tin-tetraiodoporphrin
• Formula: C60 H36 F4 I4 N4 O5 S Sn
• Calculated formula: C60 H36 F4 I4 N4 O5 S Sn
• Title of publication: Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins
• Authors of publication: Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1150
• a: 14.2058 ± 0.0003 Å
• b: 17.3651 ± 0.0005 Å
• c: 11.8806 ± 0.0003 Å
• α: 90°
• β: 97.847 ± 0.002°
• γ: 90°
• Cell volume: 2903.32 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No