Information card for entry 7123423

Structure parameters

• Chemical name: 1
• Formula: C39 H36 Cl Co N P3
• Calculated formula: C39 H36 Cl Co N P3
• 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: 10.211 ± 0.0004 Å
• b: 20.2536 ± 0.0005 Å
• c: 16.7695 ± 0.0005 Å
• α: 90°
• β: 99.94 ± 0.003°
• γ: 90°
• Cell volume: 3416.03 ± 0.19 ų
• Cell temperature: 173.05 ± 0.1 K
• Ambient diffraction temperature: 173 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: 0.0645
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No