Information card for entry 7062681

Structure parameters

• Formula: C80 H58 Cl12 N10 O10 Sn2
• Calculated formula: C80 H58 Cl12 N10 O10 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: 13.1022 ± 0.0013 Å
• b: 13.2926 ± 0.0014 Å
• c: 13.3483 ± 0.0013 Å
• α: 105.191 ± 0.003°
• β: 94.932 ± 0.003°
• γ: 113.326 ± 0.003°
• Cell volume: 2012.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No