Information card for entry 1575157

Structure parameters

• Formula: C7 H16 N2 O
• Calculated formula: C7 H16 N2 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: 9.9756 ± 0.0003 Å
• b: 11.6881 ± 0.0003 Å
• c: 15.1321 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1764.34 ± 0.08 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No