Information card for entry 7011099

Structure parameters

• Formula: C81 H74 Cl2 F12 O3 P8 Pt3 Tl
• Calculated formula: C81 H66 F12 O4 P8 Pt3 Tl
• SMILES: [Pt]12345[Pt]678([Pt]1([Tl]126([O]=C(C=C(O1)C)C)[OH2])([P](C[P]7(c2ccccc2)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C]58=O)[P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)([F-])(F)(F)(F)F.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Platinum‒thallium cluster complexes
• Authors of publication: Raisa Stadnichenko; Brian T. Sterenberg; Arlene M. Bradford; Michael C. Jennings; Richard J. Puddephatt
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1212 - 1216
• a: 13.459 ± 0.003 Å
• b: 23.09 ± 0.005 Å
• c: 14.721 ± 0.003 Å
• α: 90°
• β: 103.99 ± 0.03°
• γ: 90°
• Cell volume: 4439.1 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No