Information card for entry 2102621

Structure parameters

• Formula: C10 H14 Cl6 I2 N2 O2 Pt
• Calculated formula: C10 H14 Cl6 I2 N2 O2 Pt
• SMILES: c1c(ccc[nH+]1)I.O.Cl[Pt](Cl)(Cl)(Cl)([Cl-])[Cl-].c1c(ccc[nH+]1)I.O
• Title of publication: Water molecules insert into N—H···Cl—<i>M</i> hydrogen bonds while <i>M</i>—Cl···<i>X</i>—C halogen bonds remain intact in dihydrates of halopyridinium hexachloroplatinates
• Authors of publication: Zordan, Fiorenzo; Brammer, Lee
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: 512 - 519
• a: 7.968 ± 0.002 Å
• b: 7.32 ± 0.002 Å
• c: 18.243 ± 0.004 Å
• α: 90°
• β: 100.3 ± 0.004°
• γ: 90°
• Cell volume: 1046.9 ± 0.5 ų
• Cell temperature: 150 ± 5 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No