Information card for entry 4077880

Structure parameters

• Formula: C25 H30 B Br N2 O6 Pt
• Calculated formula: C25 H30 B Br N2 O6 Pt
• SMILES: [Pt]1(Br)([n]2ccc(C(=O)OCC)cc2c2[n]1ccc(c2)C(=O)OCC)(C)(Cc1ccc(cc1)B(O)O)C
• Title of publication: Synthesis and Self-Association of Organoplatinum(IV) Boronic Acids
• Authors of publication: Safa, Muhieddine A.; Abo-Amer, Anwar; Borecki, Aneta; Cooper, Benjamin F. T.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2675
• a: 11.451 ± 0.004 Å
• b: 12.132 ± 0.004 Å
• c: 12.267 ± 0.004 Å
• α: 92.106 ± 0.009°
• β: 112.053 ± 0.009°
• γ: 117.416 ± 0.008°
• Cell volume: 1355.8 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No