Information card for entry 7232118

Structure parameters

• Common name: 3-Nitrobenzoate-tin-tetraiodoporphrin
• Formula: C66 H52 I4 N6 O10 Sn
• Calculated formula: C66 H52 I4 N6 O10 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: 11.2861 ± 0.0004 Å
• b: 11.7958 ± 0.0003 Å
• c: 13.3288 ± 0.0003 Å
• α: 103.991 ± 0.002°
• β: 95.327 ± 0.002°
• γ: 111 ± 0.002°
• Cell volume: 1575.58 ± 0.08 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: 0.0461
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No