Information card for entry 2237733

Structure parameters

• Chemical name: Chlorido[1,1'-(5-methyl-1,3-phenylene)bis(3,5-dimethyl-1<i>H</i>-imidazol-2-ylidene)]platinum(II)
• Formula: C17 H19 Cl N4 Pt
• Calculated formula: C17 H19 Cl N4 Pt
• SMILES: [Pt]12(=C3N(C(=CN3C)C)c3c1c(cc(c3)C)N1C(=CN(C=21)C)C)Cl
• Title of publication: Chlorido[1,1'-(5-methyl-1,3-phenylene)bis(3,5-dimethyl-1<i>H</i>-imidazol-2-ylidene)]platinum(II)
• Authors of publication: Peng, Kui-Juan; Wang, Zi-Xing; Wan, Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: m218
• a: 11.042 ± 0.005 Å
• b: 14.552 ± 0.006 Å
• c: 11.524 ± 0.005 Å
• α: 90°
• β: 116.049 ± 0.004°
• γ: 90°
• Cell volume: 1663.6 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes