Information card for entry 7105161

Structure parameters

• Formula: C20 H22 B Br2 Co F2 N4 O2
• Calculated formula: C20 H22 B Br2 Co F2 N4 O2
• SMILES: [Co]123(Br)(Br)[N](=C(C(=[N]3c3ccccc3)C)C)O[B](ON1C(=C(N2c1ccccc1)C)C)(F)F
• Title of publication: Hydrogen evolution by cobalt tetraimine catalysts adsorbed on electrode surfaces.
• Authors of publication: Berben, Louise A; Peters, Jonas C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 398 - 400
• a: 12.2153 ± 0.0008 Å
• b: 13.1102 ± 0.0008 Å
• c: 28.6077 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4581.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0872
• 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: No
• Has Fobs: No