Information card for entry 7025780

Structure parameters

• Formula: C26 H26 Br2 O2 P2 Pt
• Calculated formula: C26 H26 Br2 O2 P2 Pt
• SMILES: [Pt](Br)(Br)([P](OC)(c1ccccc1)c1ccccc1)[P](OC)(c1ccccc1)c1ccccc1
• Title of publication: Correlating Pt-P bond lengths and Pt-P coupling constants.
• Authors of publication: Waddell, Paul G.; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 37
• Pages of publication: 8620 - 8625
• a: 12.675 ± 0.003 Å
• b: 13.753 ± 0.005 Å
• c: 14.938 ± 0.01 Å
• α: 90°
• β: 93.283 ± 0.009°
• γ: 90°
• Cell volume: 2600 ± 2 ų
• Cell temperature: 125.1 K
• Ambient diffraction temperature: 125.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No