Information card for entry 4511996

Structure parameters

• Chemical name: [VerkaedeH][Formate)
• Formula: C16 H35 N4 O2 P
• Calculated formula: C16 H35 N4 O2 P
• Title of publication: A Cobalt Hydride Catalyst for the Hydrogenation of CO2: Pathways for Catalysis and Deactivation
• Authors of publication: Jeletic, Matthew S.; Helm, Monte L.; Hulley, Elliott B.; Mock, Michael T.; Appel, Aaron M.; Linehan, John C.
• Journal of publication: ACS Catalysis
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 3755
• a: 9.492 ± 0.0008 Å
• b: 10.0652 ± 0.0009 Å
• c: 11.6878 ± 0.001 Å
• α: 72.135 ± 0.002°
• β: 84.493 ± 0.003°
• γ: 64.509 ± 0.002°
• Cell volume: 958.49 ± 0.14 ų
• Cell temperature: 145 K
• Ambient diffraction temperature: 145 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: 0.065
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No