Information card for entry 7029953

Structure parameters

• Formula: C22 H38 Cl4 N4 O4 Pt2 S2
• Calculated formula: C22 H38 Cl4 N4 O4 Pt2 S2
• SMILES: [Pt](Cl)(Cl)([S](=O)(C)C)=C1N(C=CN1[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2N1C=CN(C1=[Pt](Cl)(Cl)[S](=O)(C)C)C(C)C)C(C)C
• Title of publication: Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties.
• Authors of publication: Marshall, Paul; Jenkins, Robert L.; Clegg, William; Harrington, Ross W.; Callear, Samantha K.; Coles, Simon J.; Fallis, Ian A.; Dervisi, Athanasia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 41
• Pages of publication: 12839 - 12846
• a: 19.248 ± 0.006 Å
• b: 19.248 ± 0.006 Å
• c: 23.08 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8551 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No