Information card for entry 1575158

Structure parameters

• Formula: C26 H42 Ir2 Mo N2 O4
• Calculated formula: C26 H42 Ir2 Mo N2 O4
• Title of publication: Synergistic C-H bond activation across molybdenum-iridium multiply bonded complexes: a cascade of transformations.
• Authors of publication: Dubrawski, Zachary; Del Rosal, Iker; Jeanneau, Erwann; Maron, Laurent; Thieuleux, Chloé; Camp, Clément
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 14564 - 14577
• a: 10.9967 ± 0.0002 Å
• b: 10.9728 ± 0.0002 Å
• c: 12.1515 ± 0.0002 Å
• α: 90°
• β: 90.354 ± 0.002°
• γ: 90°
• Cell volume: 1466.23 ± 0.04 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No