Information card for entry 2022310

Structure parameters

• Chemical name: <i>trans</i>-Dichloridodimethylbis[<i>N</i>,<i>N</i>',<i>N</i>''-tris(2-chlorobenzyl)phosphoric triamide]tin(IV)
• Formula: C44 H48 Cl8 N6 O2 P2 Sn
• Calculated formula: C44 H48 Cl8 N6 O2 P2 Sn
• SMILES: C(NP(NCc1c(cccc1)Cl)(NCc1c(cccc1)Cl)=[O][Sn](C)(C)([O]=P(NCc1c(cccc1)Cl)(NCc1c(cccc1)Cl)NCc1c(cccc1)Cl)(Cl)Cl)c1ccccc1Cl
• Title of publication: Conformational analysis of two new organotin(IV) structures completed with a CSD survey
• Authors of publication: Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• Pages of publication: 68 - 80
• a: 15.4589 ± 0.0004 Å
• b: 8.1983 ± 0.0003 Å
• c: 20.6655 ± 0.0006 Å
• α: 90°
• β: 106.556 ± 0.002°
• γ: 90°
• Cell volume: 2510.49 ± 0.14 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for significantly intense reflections: 1.32
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No