Information card for entry 7009202

Structure parameters

• Formula: C82 H68 Cd Cl F6 N2 P5 Pt2 S2
• Calculated formula: C82 H68 Cd Cl F6 N2 P5 Pt2 S2
• SMILES: [Pt]1([S]2[Cd]3([S]1[Pt]2([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)[n]1ccccc1c1[n]3cccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ligand-stabilization of an unusual square-based pyramidal geometry of Cd(II) and Zn(II) in an heterometallic {MPt2S2} core (M = Cd, Zn)
• Authors of publication: Li, Zhaohui; Loh, Zhi-Heng; Audi Fong, S.-W.; Yan, Yaw-Kai; Henderson, William; Mok, K. F.; Hor, T. S. Andy
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1027
• a: 14.5256 ± 0.0005 Å
• b: 20.1188 ± 0.0007 Å
• c: 29.3002 ± 0.0011 Å
• α: 83.11 ± 0.001°
• β: 88.39 ± 0.001°
• γ: 82.842 ± 0.001°
• Cell volume: 8433.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No