Information card for entry 2200885

Structure parameters

• Chemical name: Bis(aquadiphenylmethyltrifluoroacetatotin)‒18-crown-6 (1/1)
• Formula: C42 H54 F6 O12 Sn2
• Calculated formula: C42 H54 F6 O12 Sn2
• SMILES: c1(ccccc1)[Sn](c1ccccc1)(C)([OH2])OC(=O)C(F)(F)F.O1CCOCCOCCOCCOCCOCC1.c1(ccccc1)[Sn](c1ccccc1)(OC(=O)C(F)(F)F)(C)[OH2]
• Title of publication: Bis(aquamethyldiphenyltrifluoroacetatotin)‒18-crown-6 (1/1)
• Authors of publication: Amini, Mostafa M.; Yousefi, Mohammad; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m118 - m120
• a: 9.3175 ± 0.0009 Å
• b: 12.0263 ± 0.0011 Å
• c: 12.1632 ± 0.0012 Å
• α: 106.156 ± 0.001°
• β: 101.177 ± 0.001°
• γ: 107.211 ± 0.001°
• Cell volume: 1192.5 ± 0.2 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes