Information card for entry 1575156

Structure parameters

• Formula: C21 H42 Ir Mo N4 O
• Calculated formula: C21 H42 Ir Mo N4 O
• 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: 10.568 ± 0.0002 Å
• b: 14.3581 ± 0.0002 Å
• c: 17.6451 ± 0.0002 Å
• α: 100.148 ± 0.001°
• β: 101.617 ± 0.001°
• γ: 98.071 ± 0.001°
• Cell volume: 2538.22 ± 0.07 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 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: 0.0293
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No