Information card for entry 7062680

Structure parameters

• Formula: C68 H60 N8 O12 Sn2
• Calculated formula: C68 H60 N8 O12 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: 11.341 ± 0.002 Å
• b: 12.832 ± 0.003 Å
• c: 13.512 ± 0.003 Å
• α: 114.565 ± 0.002°
• β: 95.928 ± 0.002°
• γ: 110.4 ± 0.002°
• Cell volume: 1603.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No