Information card for entry 7017536

Structure parameters

• Formula: C14 H12 Cl N3 O Pt
• Calculated formula: C14 H10 Cl N3 O Pt
• SMILES: c12ccccc1c1cccc3c4[n]([Pt]2(Cl)[n]13)cc[nH]4.O
• Title of publication: The synthesis and photophysical studies of cyclometalated Pt(ii) complexes with C,N,N-ligands containing imidazolyl donors.
• Authors of publication: Ho, Yu-Man; Koo, Chi-Kin; Wong, Ka-Leung; Kong, Hoi-Kuan; Chan, Chris Tsz-Leung; Kwok, Wai-Ming; Chow, Cheuk-Fai; Lam, Michael Hon-Wah; Wong, Wai-Yeung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1792 - 1800
• a: 9.772 ± 0.0006 Å
• b: 12.5346 ± 0.0007 Å
• c: 11.1227 ± 0.0007 Å
• α: 90°
• β: 99.441 ± 0.001°
• γ: 90°
• Cell volume: 1343.94 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No