Information card for entry 1519767

Structure parameters

• Formula: C28 H32 Cd N2 O4 P2 S4
• Calculated formula: C28 H32 Cd N2 O4 P2 S4
• Title of publication: C28H32Cd1N2O4P2S4
• Authors of publication: Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Huth, Susanne L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2006
• Pages of publication: 246
• a: 12.1056 ± 0.0006 Å
• b: 17.5149 ± 0.0011 Å
• c: 15.3373 ± 0.0012 Å
• α: 90°
• β: 99.041 ± 0.006°
• γ: 90°
• Cell volume: 3211.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No