Information card for entry 4346375

Structure parameters

• Formula: C17 H12 N2 O2 Pt
• Calculated formula: C17 H12 N2 O2 Pt
• SMILES: [Pt]12(c3ccccc3c3[n]2cccc3)OC(=O)c2[n]1cccc2
• Title of publication: Impact of a carboxyl group on a cyclometalated ligand: hydrogen-bond- and coordination-driven self-assembly of a luminescent platinum(II) complex.
• Authors of publication: Ebina, Masanori; Kobayashi, Atsushi; Ogawa, Tomohiro; Yoshida, Masaki; Kato, Masako
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 8878 - 8880
• a: 20.535 ± 0.006 Å
• b: 11.714 ± 0.003 Å
• c: 5.5719 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.3 ± 0.6 ų
• Cell temperature: 195 K
• Ambient diffraction temperature: 195 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No