Information card for entry 3500011

Structure parameters

• Formula: C30 H40 Cd Cl2 F4 N12 O6 S2
• Calculated formula: C30 H40 Cd Cl2 F4 N12 O6 S2
• Title of publication: A Cd(II) polymeric compound with fluconazol
• Authors of publication: Alfonso Fernández-Botello; Miguel Quirós; Virtudes Moreno
• Journal of publication: Personal communication to COD
• Year of publication: 2012
• a: 12.017 ± 0.003 Å
• b: 17.129 ± 0.004 Å
• c: 11.657 ± 0.002 Å
• α: 90°
• β: 118.283 ± 0.014°
• γ: 90°
• Cell volume: 2113 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections: 0.152
• Weighted residual factors for significantly intense reflections: 0.1316
• Goodness-of-fit parameter for all reflections: 1.197
• Goodness-of-fit parameter for significantly intense reflections: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No