Information card for entry 7720501

Structure parameters

• Formula: C38 H63 Ir3 N Nb O2
• Calculated formula: C38 H63 Ir3 N Nb O2
• 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: 11.1224 ± 0.0003 Å
• b: 11.6146 ± 0.0003 Å
• c: 16.8916 ± 0.0004 Å
• α: 73.274 ± 0.002°
• β: 86.167 ± 0.002°
• γ: 79.895 ± 0.002°
• Cell volume: 2057.05 ± 0.09 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 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: 0.0696
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No