Information card for entry 4117458

Structure parameters

• Common name: [Co(DO)(DOH)pn(OH2)2](ClO4)2
• Formula: C11 H23 Cl2 Co N4 O12
• Calculated formula: C11 H23 Cl2 Co N4 O12
• SMILES: [Co]123([N](=C(C(=N1=O)C)C)CCC[N]3=C(C(=[N]2O)C)C)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Electrocatalytic Hydrogen Evolution in Acidic Water with Molecular Cobalt Tetraazamacrocycles
• Authors of publication: Charles C. L. McCrory; Christopher Uyeda; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 3164 - 3170
• a: 10.6993 ± 0.0005 Å
• b: 15.4039 ± 0.0006 Å
• c: 12.9476 ± 0.0006 Å
• α: 90°
• β: 109.992 ± 0.002°
• γ: 90°
• Cell volume: 2005.32 ± 0.16 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: 0.0433
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No