Information card for entry 7021586

Structure parameters

• Formula: C44 H40 B N O2 Pt
• Calculated formula: C44 H40 B N O2 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]1cccc3)OC(=CC(=[O]2)c1ccc(B(c2c(cc(C)cc2C)C)c2c(cc(cc2C)C)C)cc1)c1ccccc1
• Title of publication: Triarylboryl-functionalized dibenzoylmethane and its phosphorescent platinum(ii) complexes.
• Authors of publication: Blight, Barry A.; Ko, Soo-Byung; Lu, Jia-Sheng; Smith, Larissa F.; Wang, Suning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 28
• Pages of publication: 10089 - 10092
• a: 8.105 ± 0.002 Å
• b: 11.65 ± 0.003 Å
• c: 19.084 ± 0.005 Å
• α: 95.968 ± 0.002°
• β: 93.914 ± 0.003°
• γ: 97.898 ± 0.002°
• Cell volume: 1769 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No