Information card for entry 4063502

Structure parameters

• Formula: C38 H35 F6 Ir N4 O8 Ru S2
• Calculated formula: C38 H35 F6 Ir N4 O8 Ru S2
• SMILES: [Ir]1234567([cH]8c9c(O[Ru]%10%11(O9)([n]9ccccc9c9[n]%11cccc9)[n]9ccccc9c9[n]%10cccc9)[cH]1[cH]3[cH]28)[c]1([c]6([c]7([c]4([c]15C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Unprecedented π-Bonded Rhodio- and Iridio-o-Benzoquinones as Organometallic Linkers for the Design of Chiral Octahedral Bimetallic Assemblies
• Authors of publication: Moussa, Jamal; Rager, Marie Noelle; Chamoreau, Lise Marie; Ricard, Louis; Amouri, Hani
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 397 - 404
• a: 8.65 ± 0.0012 Å
• b: 39.336 ± 0.004 Å
• c: 12.8186 ± 0.0017 Å
• α: 90°
• β: 108.822 ± 0.01°
• γ: 90°
• Cell volume: 4128.4 ± 0.9 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 8
• 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: 0.0767
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No