Information card for entry 1567450

Structure parameters

• Formula: C2.76 H0.19 Al0.1 F3.81 O1.05 Os0.14
• Calculated formula: C2.7619 H0.190476 Al0.0952381 F3.80952 O1.04762 Os0.142857
• 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: 11.283 ± 0.003 Å
• b: 14.143 ± 0.003 Å
• c: 15.714 ± 0.003 Å
• α: 71.674 ± 0.009°
• β: 71.73 ± 0.007°
• γ: 73.486 ± 0.009°
• Cell volume: 2211.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No