Information card for entry 7123425

Structure parameters

• Chemical name: 3
• Formula: C78 H72 Co2 N4 P6
• Calculated formula: C78 H72 Co2 N4 P6
• Title of publication: Cobalt-triphos dinitrogen complexes: activation and silyl-functionalisation of N2
• Authors of publication: Apps, Samantha; Miller, Philip; Long, Nicholas J.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 18.9258 ± 0.0001 Å
• b: 18.9258 ± 0.0001 Å
• c: 18.9258 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6778.95 ± 0.06 ų
• Cell temperature: 173.05 ± 0.1 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No