Information card for entry 7133182

Structure parameters

• Chemical name: [POCOP]Cr(Bn)
• Formula: C29 H46 Cr O2 P2
• Calculated formula: C29 H46 Cr O2 P2
• Title of publication: Dinitrogen Activation at Chromium by Photochemically Induced CrII−C Bond Homolysis
• Authors of publication: Duletski, Olivia L.; Platz, Duncan; Pollock, Charlie J.; Mosquera, Martin A.; Arulsamy, Navamoney; Mock, Michael Thomas
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 8.2502 ± 0.0002 Å
• b: 15.8605 ± 0.0005 Å
• c: 11.8231 ± 0.0004 Å
• α: 90°
• β: 106.188 ± 0.001°
• γ: 90°
• Cell volume: 1485.74 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No