Information card for entry 1519769

Structure parameters

• Formula: C29 H34 Cd N2 O4 P2 S4
• Calculated formula: C29 H34 Cd N2 O4 P2 S4
• Title of publication: C29H34Cd1N2O4P2S4
• Authors of publication: Devillanova, Francesco; Aragoni, Carla; Arca, Massimiliano; Hursthouse, Michael B.; Huth, Susanne L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2006
• Pages of publication: 248
• a: 10.7073 ± 0.0004 Å
• b: 16.3214 ± 0.0004 Å
• c: 19.5513 ± 0.0006 Å
• α: 90°
• β: 91.799 ± 0.002°
• γ: 90°
• Cell volume: 3415.06 ± 0.19 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0727
• 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