Information card for entry 1519784

Structure parameters

• Formula: C28 H32 N2 O4 P2 S4 Zn
• Calculated formula: C28 H32 N2 O4 P2 S4 Zn
• Title of publication: C28H32N2O4P2S4Zn
• 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: 238
• a: 11.9835 ± 0.0003 Å
• b: 17.4682 ± 0.0003 Å
• c: 15.301 ± 0.0004 Å
• α: 90°
• β: 98.856 ± 0.001°
• γ: 90°
• Cell volume: 3164.78 ± 0.13 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: 0.0545
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No