Information card for entry 7016744

Structure parameters

• Formula: C39 H32 Br Cl N P Pt
• Calculated formula: C39 H32 Br Cl N P Pt
• SMILES: [Pt]1(c2c(C=[N]1Cc1c(c3ccc(cc3)C)cccc1)ccc(Cl)c2)(Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Biaryl formation in the synthesis of endo and exo-platinacycles.
• Authors of publication: Crespo, Margarita; Font-Bardia, Mercè; Calvet, Teresa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9431 - 9438
• a: 21.026 ± 0.008 Å
• b: 7.879 ± 0.005 Å
• c: 21.075 ± 0.008 Å
• α: 90°
• β: 108.56 ± 0.02°
• γ: 90°
• Cell volume: 3310 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No