Information card for entry 7232117

Structure parameters

• Common name: 4-Nitrobenzoate-tin-tetraiodoporphrin
• Formula: C60 H34 Cl6 I4 N6 O8 Sn
• Calculated formula: C60 H34 Cl6 I4 N6 O8 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: 11.6409 ± 0.0005 Å
• b: 12.3154 ± 0.0006 Å
• c: 13.1057 ± 0.0004 Å
• α: 98.307 ± 0.003°
• β: 104.865 ± 0.003°
• γ: 117.3 ± 0.004°
• Cell volume: 1536.72 ± 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: 0.0861
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No