Information card for entry 1567454

Structure parameters

• Formula: C22 Al F36 I3 O10 Ru2
• Calculated formula: C21.675 Al F36 I3 O10 Ru2
• Title of publication: Towards clustered carbonyl cations [M3(CO)14]2+ (M = Ru, Os): the need for innocent deelectronation
• Authors of publication: Sellin, Malte; Friedmann, Christian; Mayländer, Maximilian; Richert, Sabine; Krossing, Ingo
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 32
• Pages of publication: 9147 - 9158
• a: 18.581 ± 0.003 Å
• b: 13.756 ± 0.002 Å
• c: 16.816 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4298.2 ± 1.2 ų
• Cell temperature: 109 ± 2 K
• Ambient diffraction temperature: 109 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No