Information card for entry 7105164

Structure parameters

• Formula: C30 H41 Br2 Co N6 O8
• Calculated formula: C30 H40 Br2 Co N6 O8
• SMILES: C1(C(=[N](c2ccc(cc2)CC(=O)O)[Co]2(N=1=O)(Br)(N(=C(C(C)=[N]2c1ccc(cc1)CC(=O)O)C)=O)Br)C)C.N(C=O)(C)C.N(C=O)(C)C
• 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: 20.774 ± 0.002 Å
• b: 12.7834 ± 0.0013 Å
• c: 14.289 ± 0.002 Å
• α: 90°
• β: 116.198 ± 0.002°
• γ: 90°
• Cell volume: 3404.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 0.626
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No