Information card for entry 1519144

Structure parameters

• Formula: C20 H22 Cl2 Fe Pd S4
• Calculated formula: C20 H22 Cl2 Fe Pd S4
• SMILES: [Pd]1(Cl)(Cl)[S]2C(=C[c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[c]3(C=C4[S]1CCCS4)[cH]8[cH]9[cH]%10[cH]%113)SCCC2
• Title of publication: C20H22Cl2FePdS4
• Authors of publication: Butler, Ian R.; Coles, Simon J.; Malik, K.M. Abdul; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1994
• Pages of publication: 1017
• a: 12.3174 ± 0.0018 Å
• b: 12.9617 ± 0.0009 Å
• c: 14.791 ± 0.003 Å
• α: 90°
• β: 107.619 ± 0.015°
• γ: 90°
• Cell volume: 2250.7 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No