Information card for entry 2226295

Structure parameters

• Chemical name: {4'-[4-(4,4'-Bipyridin-1-ylmethyl)phenyl]-2,2':6',2''- terpyridine}chloridoplatinum(II) bis(perchlorate) acetonitrile disolvate sesquihydrate
• Formula: C36 H33 Cl3 N7 O9.5 Pt
• Calculated formula: C36 H33 Cl3 N7 O9.5 Pt
• SMILES: [Pt]12(Cl)[n]3c(cc(cc3c3cccc[n]23)c2ccc(cc2)C[n+]2ccc(cc2)c2ccncc2)c2cccc[n]12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC.O.O
• Title of publication: {4'-[4-(4,4'-Bipyridin-1-ylmethyl)phenyl]-2,2':6',2''-terpyridine}chloridoplatinum(II) bis(perchlorate) acetonitrile disolvate sesquihydrate
• Authors of publication: Zhang, Guiju; Li, Quan; Fu, Wenfu; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m681
• a: 13.399 ± 0.0015 Å
• b: 14.5018 ± 0.0015 Å
• c: 41.279 ± 0.004 Å
• α: 90°
• β: 90.39 ± 0.001°
• γ: 90°
• Cell volume: 8020.7 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.2257
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.2945
• Weighted residual factors for all reflections included in the refinement: 0.3388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes