Information card for entry 4084700

Structure parameters

• Common name: Na[PtMe2(dmso)(NHC)].8H2O
• Formula: C13 H26 N2 Na2 O11 Pt S3
• Calculated formula: C13 H26 N2 Na2 O11 Pt S3
• SMILES: C1(N(CCCS(=O)(=O)[O-])C=CN1CCCS(=O)(=O)[O-])=[Pt]([S](=O)(C)C)(C)C.O.O.[Na+].O.[Na+].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: 17.768 ± 0.0005 Å
• b: 9.8038 ± 0.0004 Å
• c: 33.2663 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5794.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No