Information card for entry 4321996

Structure parameters

• Chemical name: bis(mu!5$-2,6-pyridinedithiolate-S,N,S')-tetrakis- ((eta$4!-1,5-cyclo-octadiene)-rhodium(i))-thallium(i) hexafluorophosphate dichloromethane solvate
• Formula: C43 H56 Cl2 F6 N2 P Rh4 S4 Tl
• Calculated formula: C43.001 H54 Cl2.002 F6 N2 P Rh4 S4 Tl
• Title of publication: Encapsulation of Thallium(I) by Tetranuclear Rhodium or Iridium Complexes: Synthesis and Molecular Structure of Heterobimetallic Complexes Stabilized by s2-d8 Bonding Interactions
• Authors of publication: Miguel A. Casado; Jesús J. Pérez-Torrente; José A. López; Miguel A. Ciriano; Fernando J. Lahoz; Luis A. Oro
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2482 - 2488
• a: 12.65 ± 0.002 Å
• b: 21.262 ± 0.004 Å
• c: 21.09 ± 0.004 Å
• α: 90°
• β: 99.16 ± 0.004°
• γ: 90°
• Cell volume: 5600.1 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No