Information card for entry 4064919

Structure parameters

• Formula: C14 H14 F6 N2 O6 S2
• Calculated formula: C14 H14 F6 N2 O6 S2
• SMILES: C(F)(S(=O)(=O)[O-])(F)F.c1[nH+]c(CCc2cccc[nH+]2)ccc1.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: The Chemistry of [PtMe2(1,2-bis(2-pyridyl)ethane)]: Remarkable Impact of an Easily Dissociated Chelate Ligand
• Authors of publication: Safa, Muhieddine; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5625
• a: 6.227 ± 0.0003 Å
• b: 19.5491 ± 0.0008 Å
• c: 7.7898 ± 0.0003 Å
• α: 90°
• β: 98.469 ± 0.002°
• γ: 90°
• Cell volume: 937.93 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No