Information card for entry 4105659

Structure parameters

• Formula: C44 H38 B Cl F4 N2 P2 Pt
• Calculated formula: C44 H38 B Cl F4 N2 P2 Pt
• SMILES: [Pt](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(c2c(N1)cccc2)C.[B](F)(F)(F)[F-]
• Title of publication: Synthesis of NHC Complexes by Oxidative Addition of 2-Chloro-N-methylbenzimidazole
• Authors of publication: Tim Kösterke; Tania Pape; F. Ekkehardt Hahn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 2112 - 2115
• a: 10.4079 ± 0.0003 Å
• b: 12.9817 ± 0.0004 Å
• c: 16.6774 ± 0.0005 Å
• α: 102.085 ± 0.001°
• β: 104.508 ± 0.001°
• γ: 106.14 ± 0.001°
• Cell volume: 1998.96 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0268
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No