Information card for entry 7123424

Structure parameters

• Chemical name: 2
• Formula: C94 H104 Co2 Mg N6 O4 P6
• Calculated formula: C94 H104 Co2 Mg N6 O4 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: 35.2041 ± 0.0004 Å
• b: 18.5349 ± 0.0002 Å
• c: 13.28584 ± 0.00019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8669.07 ± 0.18 ų
• Cell temperature: 174 ± 3 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No