Information card for entry 7131359

Structure parameters

• Formula: C20 H48 Cl5 N O2 Sn
• Calculated formula: C20 H48 Cl5 N O2 Sn
• SMILES: C(CCC)[N+](CCCC)(CCCC)CCCC.C(C)[OH][Sn](Cl)(Cl)(Cl)(Cl)Cl.OCC
• Title of publication: Photophysical properties of tetrabutylammonium metal chlorides with different inorganic frameworks.
• Authors of publication: Hu, Qichuan; Liu, Jing; Yu, Hailong; Xu, Hanqi; Yu, Jinyang; Wu, Wenzhi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 25
• Pages of publication: 3763 - 3766
• a: 11.1104 ± 0.0019 Å
• b: 12.108 ± 0.002 Å
• c: 13.108 ± 0.003 Å
• α: 109.091 ± 0.004°
• β: 105.943 ± 0.004°
• γ: 94.281 ± 0.004°
• Cell volume: 1575.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1381
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No