Information card for entry 2011800

Structure parameters

• Chemical name: (4'-Chloro-2,2':6',2''-terpyridine-N,N',N'')(diethylphopshinothioato-S)platinu m(II) tetraphenylborate
• Formula: C43 H40 B Cl N3 O3 P Pt S
• Calculated formula: C43 H40 B Cl N3 O3 P Pt S
• SMILES: [Pt]12(SP(=O)(OCC)OCC)[n]3c(cc(Cl)cc3c3cccc[n]23)c2cccc[n]12.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (4'-Chloro-2,2':6',2''-terpyridine-<i>N</i>,<i>N</i>',<i>N</i>'')(diethylphosphinothioato-<i>S</i>)platinum(II) tetraphenylborate
• Authors of publication: Ross, Steven A.; Lowe, Gordon; Watkin, David J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 275 - 276
• a: 10.755 ± 0.0005 Å
• b: 13.523 ± 0.0003 Å
• c: 26.764 ± 0.001 Å
• α: 90°
• β: 87.356 ± 0.002°
• γ: 90°
• Cell volume: 3888.4 ± 0.2 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes