Information card for entry 4307929

Structure parameters

• Formula: C14 H10 Cl N3 Pt
• Calculated formula: C14 H10 Cl N3 Pt
• SMILES: c12ccccc1c1cccc3c4cc[nH][n]4[Pt]2([n]13)Cl
• 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: 8.1722 ± 0.0005 Å
• b: 11.9826 ± 0.0007 Å
• c: 13.6523 ± 0.0008 Å
• α: 101.173 ± 0.001°
• β: 98.678 ± 0.001°
• γ: 100.959 ± 0.001°
• Cell volume: 1262.94 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No