Information card for entry 1519766

Structure parameters

• Formula: C28 H30 Cd N2 O4 P2 S4
• Calculated formula: C28 H30 Cd N2 O4 P2 S4
• Title of publication: C28H30Cd1N2O4P2S4
• 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: 245
• a: 11.9856 ± 0.0009 Å
• b: 17.7146 ± 0.0011 Å
• c: 15.2383 ± 0.0005 Å
• α: 90°
• β: 101.808 ± 0.004°
• γ: 90°
• Cell volume: 3166.9 ± 0.3 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: 0.0399
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No