Information card for entry 7005747

Structure parameters

• Common name: mbn138
• Formula: C54 H40 Cl3 F10 P2 Pt2 Si
• Calculated formula: C54 H40 Cl3 F10 P2 Pt2 Si
• SMILES: [Pt]1([Pt]2(c3c(c(c(c(c3F)F)F)F)F)(c3c(c(c(c(c3F)F)F)F)F)[C]1#[C]2[Si](C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: C?H and P?C(Ph) activation competitive processes caused by interaction with the solvate [cis-Pt(C6F5)2(thf)2]
• Authors of publication: Jesús R. Berenguer; María Bernechea; Elena Lalinde
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2384
• a: 13.728 ± 0.0003 Å
• b: 14.5479 ± 0.0003 Å
• c: 16.4307 ± 0.0004 Å
• α: 67.721 ± 0.001°
• β: 87.877 ± 0.001°
• γ: 64.424 ± 0.001°
• Cell volume: 2707.24 ± 0.11 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: 0.0748
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No