Information card for entry 7105162

Structure parameters

• Formula: C22 H27 Br2 Co N4 O4
• Calculated formula: C22 H27 Br2 Co N4 O4
• SMILES: [Co]12(Br)(Br)(N(=C(C(=[N]1c1ccc(cc1)OC)C)C)=O)[N](=C(C(=[N]2c1ccc(cc1)OC)C)C)O
• 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: 13.6425 ± 0.0011 Å
• b: 12.42 ± 0.001 Å
• c: 14.1086 ± 0.0011 Å
• α: 90°
• β: 95.326 ± 0.001°
• γ: 90°
• Cell volume: 2380.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No