Information card for entry 2217259

Structure parameters

• Chemical name: bis({6-ethylamino-10-[2-(methoxycarbonyl)phenyl]-2,7-dimethylxanthen-3- ylidene}ethanaminium) hexachloridotin(IV) acetonitrile disolvate
• Formula: C58 H64 Cl6 N6 O6 Sn
• Calculated formula: C58 H64 Cl6 N6 O6 Sn
• SMILES: c12Oc3c([C+](c2cc(c(c1)NCC)C)c1c(C(=O)OC)cccc1)cc(c(NCC)c3)C.N#CC.Cl[Sn](Cl)(Cl)([Cl-])([Cl-])Cl.c12Oc3c([C+](c2cc(c(c1)NCC)C)c1c(cccc1)C(=O)OC)cc(c(NCC)c3)C.N#CC
• Title of publication: Rhodamine 6G hexachloridostannate(IV) acetonitrile disolvate
• Authors of publication: Venkatraman, Ramaiyer; Sitole, Lungile; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m199 - m199
• a: 9.7871 ± 0.001 Å
• b: 11.7827 ± 0.0011 Å
• c: 13.2893 ± 0.0012 Å
• α: 80.583 ± 0.004°
• β: 77.309 ± 0.004°
• γ: 82.467 ± 0.004°
• Cell volume: 1467.7 ± 0.2 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.036
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes