Information card for entry 4084699

Structure parameters

• Formula: C25 H37 K2 N8 Na4 O18 Pt2 S5
• Calculated formula: C25 H37 K2 N8 Na4 O18 Pt2 S5
• SMILES: [K+].[Na+].O.[K+].N#C[Pt](C)(C#N)=C1N(CCCS(=O)(=O)[O-])C=CN1CCCS(=O)(=O)[O-].N1(C(N(C=C1)CCCS(=O)(=O)[O-])=[Pt](C)(C#N)C#N)CCCS(=O)(=O)[O-].S(=O)(=O)(C)[O-].[Na+].[Na+].[Na+].O.O
• Title of publication: Water-Soluble Mono- and Dimethyl N-Heterocyclic Carbene Platinum(II) Complexes: Synthesis and Reactivity
• Authors of publication: Baquero, Edwin A.; Flores, Juan C.; Perles, Josefina; Gómez-Sal, Pilar; de Jesús, Ernesto
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5470
• a: 17.146 ± 0.003 Å
• b: 34.756 ± 0.007 Å
• c: 10.637 ± 0.0014 Å
• α: 90°
• β: 96.595 ± 0.017°
• γ: 90°
• Cell volume: 6296.9 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.139
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No