Information card for entry 4079967

Structure parameters

• Formula: C35 H33 B N2 O2 Pt
• Calculated formula: C35 H33 B N2 O2 Pt
• SMILES: [Pt]12(c3ccc(B(c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)cc3c3[n]1cccc3)OC(=O)c1[n]2cccc1
• Title of publication: Impact of a Picolinate Ancillary Ligand on Phosphorescence and Fluoride Sensing Properties of BMes2-Functionalized Platinum(II) Compounds
• Authors of publication: Ko, Soo-Byung; Lu, Jia-Sheng; Kang, Youngjin; Wang, Suning
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 599
• a: 8.3893 ± 0.0004 Å
• b: 41.705 ± 0.002 Å
• c: 9.1621 ± 0.0005 Å
• α: 90°
• β: 93.116 ± 0.001°
• γ: 90°
• Cell volume: 3200.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0427
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No