Information card for entry 4084698

Structure parameters

• Formula: C13 H23 Cl N2 Na2 O12.5 Pt S3.5
• Calculated formula: C13 H23 Cl N2 Na2 O12.5 Pt S3.5
• SMILES: C1(=[Pt]([S](=O)(C)C)(Cl)C)N(CCCS(=O)(=O)[O-])C=CN1CCCS(=O)([O-])=O.[Na+].O.S(=O)(C)C.O.[Na+].O.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: 8.194 ± 0.0008 Å
• b: 18.356 ± 0.003 Å
• c: 20.606 ± 0.003 Å
• α: 66.934 ± 0.01°
• β: 84.006 ± 0.012°
• γ: 81.2 ± 0.01°
• Cell volume: 2814.6 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No