Information card for entry 1567449

Structure parameters

• Formula: C58 H4 Al2 F80 O22 Ru3
• Calculated formula: C58 H4 Al2 F80 O22 Ru3
• SMILES: C(#[O])[Ru](C#[O])(C#[O])(C#[O])(C#[O])[Ru](C#[O])(C#[O])(C#[O])(C#[O])[Ru](C#[O])(C#[O])(C#[O])(C#[O])C#[O].Fc1c(F)c(F)c(cc1)F.FC(C(O[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F.c1cc(F)c(F)c(F)c1F.FC(C(O[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F
• 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: 11.298 ± 0.004 Å
• b: 14.164 ± 0.006 Å
• c: 15.698 ± 0.005 Å
• α: 71.621 ± 0.01°
• β: 71.685 ± 0.018°
• γ: 73.388 ± 0.012°
• Cell volume: 2214 ± 1.4 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 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: 0.0217
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No