Information card for entry 7021001

Structure parameters

• Formula: C19 H33 Cl4 N5 O Pt S
• Calculated formula: C19 H33 Cl4 N5 O Pt S
• SMILES: [Pt]1(Cl)(Cl)(Cl)(Cl)c2cn(C(C)C)c(C)[n+]2Cn2c(C)[n+](C(C)C)cc12.S(=O)(C)C.N#CC
• Title of publication: Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.
• Authors of publication: Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 4197 - 4207
• a: 9.3908 ± 0.0002 Å
• b: 13.8861 ± 0.0002 Å
• c: 10.1824 ± 0.0002 Å
• α: 90°
• β: 90.069 ± 0.002°
• γ: 90°
• Cell volume: 1327.8 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No