Information card for entry 4077883

Structure parameters

• Formula: C21 H22 B Br N4 O3 Pt
• Calculated formula: C21 H22 B Br N4 O3 Pt
• SMILES: [Pt]1(Br)([n]2ccccc2c2oc(n[n]12)c1ncccc1)(Cc1ccc(cc1)B(O)O)(C)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: 7.5558 ± 0.0004 Å
• b: 22.7203 ± 0.001 Å
• c: 14.3006 ± 0.0007 Å
• α: 90°
• β: 108.863 ± 0.004°
• γ: 90°
• Cell volume: 2323.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1141
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No