Information card for entry 7232121

Structure parameters

• Common name: 3,5-Dibromobenzoate-tin-tetraiodoporphrin
• Formula: C58 H30 Br4 I4 N4 O4 Sn
• Calculated formula: C58 H30 Br4 I4 N4 O4 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: 8.8374 ± 0.0007 Å
• b: 10.7088 ± 0.0006 Å
• c: 15.0404 ± 0.0011 Å
• α: 98.727 ± 0.005°
• β: 101.652 ± 0.006°
• γ: 96.887 ± 0.006°
• Cell volume: 1361.15 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No