Information card for entry 1515997

Structure parameters

• Common name: [RCoCl][BF4]
• Formula: C56 H56 B Cl Co F4 N4 P4
• Calculated formula: C56 H56 B Cl Co F4 N4 P4
• Title of publication: Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere
• Authors of publication: Jacobsen, George M.; Yang, Jenny Y.; Twamley, Brendan; Wilson, Aaron D.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.
• Journal of publication: Energy & Environmental Science
• Year of publication: 2008
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 167
• a: 34.2939 ± 0.0013 Å
• b: 12.9425 ± 0.0005 Å
• c: 28.6361 ± 0.0011 Å
• α: 90°
• β: 121.872 ± 0.001°
• γ: 90°
• Cell volume: 10793.8 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No