Information card for entry 4106687

Structure parameters

• Formula: C16 H42 Cr0 N2 O23 S4 V6
• Calculated formula: C16 H42 N2 O23 S4 V6
• SMILES: C1C2(C=O3[V]456(=O789%10[V]%11%12(O[V]%139(=O16)(=O(C2)[V]138(O[V]27([O]%12CC3(C[O]2[V]%10([O]%11C3)(O%13)(O1)=O)[NH3+])(=O)O4)=O)=O)(=O)O5)=O)[NH3+].CS(C)=O.CS(C)=O.CS(C)=O.CS(C)=O
• Title of publication: Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties
• Authors of publication: Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14010 - 14016
• a: 11.905 ± 0.0017 Å
• b: 14.3684 ± 0.0019 Å
• c: 11.905 ± 0.0017 Å
• α: 90°
• β: 117.48°
• γ: 90°
• Cell volume: 1806.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1175
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No