Information card for entry 7232122

Structure parameters

• Common name: 4-Bromobenzoate-tin-tetraiodoporphrin
• Formula: C64 H46 Br2 I4 N4 O4 Sn
• Calculated formula: C64 H46 Br2 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: 9.64 ± 0.0005 Å
• b: 10.8143 ± 0.0006 Å
• c: 15.1088 ± 0.0007 Å
• α: 100.646 ± 0.004°
• β: 102.72 ± 0.004°
• γ: 93.71 ± 0.004°
• Cell volume: 1500.84 ± 0.14 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: 0.091
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No