Information card for entry 7105490

Structure parameters

• Formula: C14 H16 Cl2 N4 O11
• Calculated formula: C14 H11 Cl2 N4 O11
• SMILES: Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[n+]12[C](c3[nH]c4[n+](c3)cccc4)C(=O)Nc1cccc2.O.O
• Title of publication: New zwitterionic radical salts: dimers in solution and unusual magnetic and luminescent properties in the solid state
• Authors of publication: Yong, Guo-Ping; Li, Chong-Fu; Li, Ying-Zhou; Luo, Shi-Wei
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 3194 - 3196
• a: 27.774 ± 0.006 Å
• b: 10.523 ± 0.002 Å
• c: 13.389 ± 0.003 Å
• α: 90°
• β: 100.94 ± 0.03°
• γ: 90°
• Cell volume: 3842 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1498
• Residual factor for significantly intense reflections: 0.0962
• Weighted residual factors for significantly intense reflections: 0.2887
• Weighted residual factors for all reflections included in the refinement: 0.3191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No