Information card for entry 1505641

Structure parameters

• Formula: C48 H48 Cl10 P2 Pt
• Calculated formula: C44 H40 Cl2 P2 Pt
• SMILES: Cl[Pt]1(Cl)[P](c2ccccc2)(c2ccccc2)c2cc3CCCCc3cc2c2c([P]1(c1ccccc1)c1ccccc1)cc1CCCCc1c2
• Title of publication: Rhodium-catalyzed double [2 + 2 + 2] cycloaddition of 1,4-bis(diphenylphosphinoyl)buta-1,3-diyne with tethered diynes: a modular, highly versatile single-pot synthesis of NU-BIPHEP biaryl diphosphines.
• Authors of publication: Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 4925 - 4928
• a: 11.8411 ± 0.0012 Å
• b: 14.8589 ± 0.0015 Å
• c: 16.1237 ± 0.0016 Å
• α: 105.211 ± 0.002°
• β: 98.298 ± 0.002°
• γ: 107.125 ± 0.002°
• Cell volume: 2539.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No