Information card for entry 4072725

Structure parameters

• Common name: mbn21
• Formula: C57 H37 F10 P2 Pt2
• Calculated formula: C57 H37 F10 P2 Pt2
• SMILES: [Pt]1([Pt]2([P](c3ccccc3)(c3ccccc3)c3ccccc3)(c3c(c(c(c(c3F)F)F)F)F)[C]1#[C]2c1ccc(cc1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Rearrangement or C−H Activation Processes Promoted by Reaction with the Solvate [cis-Pt(C6F5)2(thf)2]
• Authors of publication: Berenguer, Jesús R.; Bernechea, María; Lalinde, Elena
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1161
• a: 23.6302 ± 0.0002 Å
• b: 14.7458 ± 0.0003 Å
• c: 28.573 ± 0.0005 Å
• α: 90°
• β: 150.658 ± 0.001°
• γ: 90°
• Cell volume: 4878.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1186
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No