Information card for entry 2236331

Structure parameters

• Chemical name: Trichlorido[4-methoxy-2,6-bis(2-pyrimidin-2-yl-κ<i>N</i>)phenyl- κ<i>C</i>^1^]platinum(IV) acetonitrile monosolvate
• Formula: C17 H14 Cl3 N5 O Pt
• Calculated formula: C17 H14 Cl3 N5 O Pt
• SMILES: [Pt]12(Cl)(Cl)(Cl)[n]3c(nccc3)c3c2c(cc(OC)c3)c2[n]1cccn2.N#CC
• Title of publication: Trichlorido[4-methoxy-2,6-bis(2-pyrimidin-2-yl-κ<i>N</i>)phenyl-κ<i>C</i>^1^]platinum(IV) acetonitrile monosolvate
• Authors of publication: Wu, Yang; Xie, Dahai; Zhang, Dengqing; Li, Xianying; Jin, Wusong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1210 - m1211
• a: 8.5739 ± 0.0008 Å
• b: 10.3371 ± 0.001 Å
• c: 12.661 ± 0.0012 Å
• α: 68.955 ± 0.002°
• β: 80.033 ± 0.002°
• γ: 70.619 ± 0.002°
• Cell volume: 986.09 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes