Information card for entry 4067356

Structure parameters

• Formula: C9 H10 Cl2 N4 O Pt
• Calculated formula: C9 H10 Cl2 N4 O Pt
• SMILES: [Pt]1([n]2c(C3=[N]1C=CC(O)N3C)nccc2)(Cl)Cl
• Title of publication: Platinum(II) Complexes Containing Quaternized Nitrogen Ligands: Synthesis, Stability, and Evaluation as Catalysts for Methane and Benzene H/D Exchange
• Authors of publication: Villalobos, Janette M.; Hickman, Amanda J.; Sanford, Melanie S.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 257
• a: 7.2406 ± 0.0006 Å
• b: 11.0864 ± 0.001 Å
• c: 14.6956 ± 0.0013 Å
• α: 90°
• β: 101.523 ± 0.001°
• γ: 90°
• Cell volume: 1155.87 ± 0.17 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No