Information card for entry 4504893

Structure parameters

• Formula: C13 H13 B Cl F4 N5 Pt
• Calculated formula: C13 H13 B Cl F4 N5 Pt
• SMILES: [Pt]12(Cl)[n]3c(cccc3Cn3ccc[n]23)Cn2ccc[n]12.[B](F)(F)(F)[F-]
• Title of publication: Metal Complexes of 2,6-Bis[(pyrazol-1-yl)methyl]pyridine: The Search for Aryl−Pyrazolyl Embrace Interactions as a Synthon for Crystal Engineering
• Authors of publication: Reger, Daniel L.; Semeniuc, Radu F.; Smith, Mark D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1181
• a: 16.4622 ± 0.001 Å
• b: 10.5959 ± 0.0006 Å
• c: 20.3165 ± 0.0012 Å
• α: 90°
• β: 112.134 ± 0.001°
• γ: 90°
• Cell volume: 3282.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No