Information card for entry 7105163

Structure parameters

• Formula: C22 H26 B Br2 Co F2 N4 O4
• Calculated formula: C22 H26 B Br2 Co F2 N4 O4
• SMILES: [Co]123(Br)(Br)[N](=C(C(=[N]2O[B](O[N]1=C(C(=[N]3c1ccc(OC)cc1)C)C)(F)F)C)C)c1ccc(OC)cc1
• 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: 11.3248 ± 0.0016 Å
• b: 11.816 ± 0.002 Å
• c: 18.73 ± 0.004 Å
• α: 90°
• β: 92.463 ± 0.003°
• γ: 90°
• Cell volume: 2504 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.576
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No