Information card for entry 4305510

Structure parameters

• Formula: C51 H98 Br2 Cl6 O P4 Pt2
• Calculated formula: C51 H98 Br2 Cl6 O P4 Pt2
• Title of publication: Site Selectivity in the Protonation of a Phosphinito Bridged PtI-PtI Complex: a Combined NMR and Density-Functional Theory Mechanistic Study
• Authors of publication: Mario Latronico; Flavia Polini; Vito Gallo; Piero Mastrorilli; Beatrice Calmuschi-Cula; Ulli Englert; Nazzareno Re; Timo Repo; Minna Räisänen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9779 - 9796
• a: 13.851 ± 0.0018 Å
• b: 15.2389 ± 0.0019 Å
• c: 16.563 ± 0.002 Å
• α: 104.614 ± 0.002°
• β: 92.913 ± 0.002°
• γ: 107.145 ± 0.002°
• Cell volume: 3202.8 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No