Information card for entry 7133183

Structure parameters

• Common name: OD-4-94 POCOPCrN2
• Chemical name: {[POCOP]Cr}2(μ-N2)
• Formula: C46 H83 Cr2 N2 O4.5 P4
• Calculated formula: C44 H78 Cr2 N2 O4 P4
• 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: 15.7583 ± 0.0016 Å
• b: 14.4111 ± 0.0013 Å
• c: 24.856 ± 0.002 Å
• α: 90°
• β: 107.974 ± 0.004°
• γ: 90°
• Cell volume: 5369.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No