Information card for entry 1573265

Structure parameters

• Formula: C44 H66 B0 Mo N P4
• Calculated formula: C44 H73 B Mo 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: 13.933 ± 0.0003 Å
• b: 16.7804 ± 0.0004 Å
• c: 19.2576 ± 0.0005 Å
• α: 90°
• β: 95.774 ± 0.002°
• γ: 90°
• Cell volume: 4479.61 ± 0.19 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: 0.117
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2239
• Weighted residual factors for all reflections included in the refinement: 0.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No