Information card for entry 7021000

Structure parameters

• Formula: C18.4 H32.1 Br4 N4.7 O Pt S
• Calculated formula: C17 H30 Br4 N4 O Pt S
• SMILES: [Pt]1(Br)(Br)(Br)(Br)c2cn(C(C)C)c(C)[n+]2Cn2c(C)[n+](C(C)C)cc12.S(=O)(C)C
• 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: 9.5992 ± 0.0002 Å
• b: 14.1248 ± 0.0003 Å
• c: 10.3387 ± 0.0002 Å
• α: 90°
• β: 90.272 ± 0.002°
• γ: 90°
• Cell volume: 1401.78 ± 0.05 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: 0.0338
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No