Information card for entry 4304987

Structure parameters

• Formula: C27 H19 F12 N5 Pt
• Calculated formula: C27 H19 F12 N5 Pt
• SMILES: [Pt]1([n]2ccccc2c2n1c(cc2C(F)(F)F)C(F)(F)F)(n1c(c2ncccc2)c(cc1C(F)(F)F)C(F)(F)F)C#[N]C(C)(C)C
• Title of publication: Reactions of the (2-Pyridyl) Pyrrolide Platinum(II) Complex Driven by Sterically Encumbered Chelation: A Model for the Reversible Attack of Alcohol at the Coordinated Carbon Monoxide
• Authors of publication: Jing-Lin Chen; Chen-Huey Lin; Jian-Hong Chen; Yun Chi; Yuan-Chieh Chiu; Pi-Tai Chou; Cheng-Hsuan Lai; Gene-Hsiang Lee; Arthur J. Carty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5154 - 5161
• a: 15.764 ± 0.0008 Å
• b: 10.165 ± 0.0005 Å
• c: 18.4604 ± 0.0009 Å
• α: 90°
• β: 94.111 ± 0.001°
• γ: 90°
• Cell volume: 2950.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No