Information card for entry 4307928

Structure parameters

• Formula: C32 H25 Cl N3 O4 P Pt
• Calculated formula: C32 H25 Cl N3 O4 P Pt
• SMILES: c12ccccc1c1cccc3c4cc[nH][n]4[Pt]2([n]13)[P](c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and Spectroscopic Studies of Cyclometalated Pt(II) Complexes Containing a Functionalized Cyclometalating Ligand, 2-Phenyl-6-(1H-pyrazol-3-yl)-pyridine
• Authors of publication: Chi-Kin Koo; Yu-Man Ho; Cheuk-Fai Chow; Michael Hon-Wah Lam; Tai-Chu Lau; Wai-Yeung Wong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3603 - 3612
• a: 15.1346 ± 0.0011 Å
• b: 10.8111 ± 0.0008 Å
• c: 17.5583 ± 0.0013 Å
• α: 90°
• β: 93.065 ± 0.001°
• γ: 90°
• Cell volume: 2868.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No