Information card for entry 4072727

Structure parameters

• Common name: mbn86
• Formula: C58 H40 Cl2 F10 O P2 Pt2
• Calculated formula: C58 H40 Cl2 F10 O P2 Pt2
• SMILES: [Pt]123([Pt]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([C]1#[C]2c1ccc(cc1)C)[H]3)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.C(Cl)Cl.O
• 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: 12.414 ± 0.0003 Å
• b: 13.7921 ± 0.0003 Å
• c: 17.2697 ± 0.0005 Å
• α: 79.742 ± 0.001°
• β: 74.228 ± 0.001°
• γ: 73.24 ± 0.001°
• Cell volume: 2708.64 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No