Information card for entry 7720500

Structure parameters

• Formula: C53 H70 Ir3 Nb O
• Calculated formula: C53 H70 Ir3 Nb O
• Title of publication: Visible-light driven H₂ reductive elimination unlocks reactivity in polyhydrido niobium iridium clusters.
• Authors of publication: Dubrawski, Zachary; Aïssiou, Samy; Jeanneau, Erwann; Thieuleux, Chloé; Camp, Clément
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 620 - 629
• a: 18.6279 ± 0.0001 Å
• b: 14.2373 ± 0.0001 Å
• c: 19.7435 ± 0.0001 Å
• α: 90°
• β: 104.686 ± 0.001°
• γ: 90°
• Cell volume: 5065.13 ± 0.06 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0255
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No