Information card for entry 2009425

Structure parameters

• Chemical name: cis-Dicarbonyldichlorobis(triphenylphosphine)bis[μ- [2,6,7-trithia-1,3,4,5-tetraphosphabicyclo[2.2.1] heptanato(2-)-P3;P3,P5]]diiridium, compound with toluene (1:2)
• Formula: C52 H46 Cl2 Ir2 O2 P10 S6
• Calculated formula: C52 H46 Cl2 Ir2 O2 P10 S6
• Title of publication: <i>cis</i>-[IrCl(CO)(PPh~3~)(μ-P~4~S~3~)]~2~.2CH~3~C~6~H~5~
• Authors of publication: Kuwabara, Estelle; Bau, Robert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 1
• Pages of publication: 64 - 67
• a: 14.794 ± 0.019 Å
• b: 18.377 ± 0.015 Å
• c: 23.41 ± 0.04 Å
• α: 90°
• β: 97.63 ± 0.11°
• γ: 90°
• Cell volume: 6308 ± 15 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No