Information card for entry 1519768

Structure parameters

• Formula: C26 H28 Cd N2 O4 P2 S4
• Calculated formula: C26 H28 Cd N2 O4 P2 S4
• SMILES: COP1(c2ccc(cc2)OC)=[S][Cd]2([n]3ccc(cc3)c3ccncc3)(S1)([S]=P(c1ccc(cc1)OC)(OC)S2)[n]1ccc(c2cc[n](cc2)[Cd]23([S]=P(c4ccc(cc4)OC)(OC)S2)[S]=P(c2ccc(cc2)OC)(OC)S3)cc1
• Title of publication: C26H28Cd1N2O4P2S4
• 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: 247
• a: 10.3791 ± 0.0006 Å
• b: 17.5735 ± 0.0008 Å
• c: 8.103 ± 0.0003 Å
• α: 90°
• β: 100.512 ± 0.003°
• γ: 90°
• Cell volume: 1453.16 ± 0.12 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: 0.0291
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No