Information card for entry 7133181

Structure parameters

• Common name: DP-2-56 Cr(p-tol)(POCOP)
• Chemical name: [POCOP]Cr(p-tol)
• 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: 10.4305 ± 0.0011 Å
• b: 10.4775 ± 0.0009 Å
• c: 14.5388 ± 0.0015 Å
• α: 78.486 ± 0.004°
• β: 83.946 ± 0.004°
• γ: 71.492 ± 0.003°
• Cell volume: 1474.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No