Information card for entry 7110647

Structure parameters

• Formula: C97 H66 Ir2 N2 O25 P4 Ru6
• Calculated formula: C97 H65 Ir2 N2 O25 P4 Ru6
• Title of publication: Fixation and spontaneous dehydrogenation of methanol on a triruthenium‒iridium framework: synthesis and structure of the cluster anion [HRu3Ir(CO)12(OMe)]−
• Authors of publication: Haak, Susanne; Neels, Antonia; Stœckli-Evans, Helen; Süss-Fink, Georg; Thomas, Christophe M.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 19
• Pages of publication: 1959
• a: 14.966 ± 0.0014 Å
• b: 19.7432 ± 0.001 Å
• c: 17.0768 ± 0.0013 Å
• α: 90°
• β: 98.541 ± 0.01°
• γ: 90°
• Cell volume: 4989.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1042
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No