Information card for entry 7203785

Structure parameters

• Formula: C15 H15 Cl10 N3 Pt
• Calculated formula: C15 H15 Cl10 N3 Pt
• SMILES: [Pt](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].[nH+]1ccc(Cl)cc1.[nH+]1ccc(Cl)cc1.[nH+]1ccc(Cl)cc1.[Cl-]
• Title of publication: Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions
• Authors of publication: Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 57
• Pages of publication: 350
• a: 9.894 ± 0.002 Å
• b: 21.852 ± 0.004 Å
• c: 11.64 ± 0.002 Å
• α: 90°
• β: 98.807 ± 0.003°
• γ: 90°
• Cell volume: 2486.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No