Information card for entry 1573266

Structure parameters

• Formula: C46 H69 B Mo O2 P4
• Calculated formula: C46 H69 B Mo O2 P4
• Title of publication: Reactivity of metal hydrides with CO₂: going beyond formate with a high-valent cationic pentahydride Mo(vi) complex.
• Authors of publication: Queyriaux, Nicolas; Cabrera-Trujillo, Jorge J; Durvin, Nina; Vendier, Laure; Miqueu, Karinne; Simonneau, Antoine
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 48
• Pages of publication: 20582 - 20589
• a: 21.5133 ± 0.0002 Å
• b: 18.8557 ± 0.0002 Å
• c: 22.697 ± 0.0002 Å
• α: 90°
• β: 99.354 ± 0.001°
• γ: 90°
• Cell volume: 9084.57 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No