Information card for entry 1519782

Structure parameters

• Formula: C28 H32 Cd N2 O4 P2 S4
• Calculated formula: C28 H32 Cd N2 O4 P2 S4
• SMILES: CCOP1(c2ccc(cc2)OC)=[S][Cd]2([n]3ccc(cc3)c3ccncc3)(S1)([S]=P(c1ccc(cc1)OC)(OCC)S2)[n]1ccc(c2cc[n](cc2)[Cd]23([S]=P(c4ccc(cc4)OC)(OCC)S2)[S]=P(c2ccc(cc2)OC)(OCC)S3)cc1
• Title of publication: C28H32Cd1N2O4P2S4
• 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: 235
• a: 8.18 ± 0.0002 Å
• b: 9.8839 ± 0.0002 Å
• c: 10.4172 ± 0.0002 Å
• α: 90.737 ± 0.001°
• β: 101.898 ± 0.001°
• γ: 100.785 ± 0.001°
• Cell volume: 808.42 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0759
• 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