Information card for entry 2231078

Structure parameters

• Chemical name: (1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(2,2':6',2''- terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) perchlorate nitromethane monosolvate
• Formula: C20 H20 Cl2 N6 O10 Pt
• Calculated formula: C20 H20 Cl2 N6 O10 Pt
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Pt]([n]12)([n]34)[n]1cn(cc1)C.CN(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Electrostatic repulsion between the cations of (1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')platinum(II) perchlorate nitromethane monosolvate prevents Pt···Pt interactions
• Authors of publication: Akerman, Matthew; Akerman, Kate; Jaganyi, Deogratius; Reddy, Desigan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1075 - m1076
• a: 16.389 ± 0.004 Å
• b: 11.582 ± 0.005 Å
• c: 14.538 ± 0.005 Å
• α: 90°
• β: 110.147 ± 0.005°
• γ: 90°
• Cell volume: 2590.7 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes