Information card for entry 4519256

Structure parameters

• Chemical name: CPC-Sn
• Formula: C21 H38 Cl3 N Sn
• Calculated formula: C21 H38 Cl3 N Sn
• SMILES: [Sn](Cl)(Cl)[Cl-].[n+]1(ccccc1)CCCCCCCCCCCCCCCC
• Title of publication: Cetylpyridinium Trichlorostannate: Synthesis, Antimicrobial Properties, and Controlled-Release Properties via Electrical Resistance Tomography
• Authors of publication: Teoman, Baran; Muneeswaran, Zilma Pereira; Verma, Gaurav; Chen, Dailin; Brinzari, Tatiana V.; Almeda-Ahmadi, Allison; Norambuena, Javiera; Xu, Shaopeng; Ma, Shengqian; Boyd, Jeffrey M.; Armenante, Piero M.; Potanin, Andrei; Pan, Long; Asefa, Tewodros; Dubovoy, Viktor
• Journal of publication: ACS Omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 51
• Pages of publication: 35433 - 35441
• a: 27.6855 ± 0.0008 Å
• b: 9.629 ± 0.0003 Å
• c: 9.1455 ± 0.0003 Å
• α: 90°
• β: 92.959 ± 0.001°
• γ: 90°
• Cell volume: 2434.79 ± 0.13 ų
• Cell temperature: 100.01 K
• Ambient diffraction temperature: 100.01 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: 0.0321
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No