Information card for entry 7062679

Structure parameters

• Formula: C53 H38 N10 O5 Sn2
• Calculated formula: C53 H38 N10 O5 Sn2
• Title of publication: Stabilization of unusual discrete diorganotin carboxylates using the intramolecular coordination approach: synthesis, structure, TD-DFT, and Hirshfeld surface analyses
• Authors of publication: Mishra, Abhishek; Chaudhary, Simran; Kamboj, Nisha; Lama, Prem; Majumder, Moumita; Metre, Ramesh K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 36
• Pages of publication: 17129 - 17141
• a: 11.9525 ± 0.0012 Å
• b: 23.158 ± 0.002 Å
• c: 18.547 ± 0.002 Å
• α: 90°
• β: 96.271 ± 0.003°
• γ: 90°
• Cell volume: 5103 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1028
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No