Information card for entry 1548133

Structure parameters

• Common name: [Co(trenpy3)](ClO4)2
• Formula: C24 H27 Cl2 Co N7 O8
• Calculated formula: C24 H27 Cl2 Co N7 O8
• SMILES: [Co]12345[n]6ccccc6C=[N]1CCN(CC[N]3=Cc1[n]2cccc1)CC[N]5=Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Efficient photocatalytic water reduction by a cobalt(ii) tripodal iminopyridine complex
• Authors of publication: Leung, C.-F.; Cheng, S.-C.; Yang, Y.; Xiang, J.; Yiu, S.-M.; Ko, C.-C.; Lau, T.-C.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 307
• a: 27.9963 ± 0.0007 Å
• b: 10.5409 ± 0.0003 Å
• c: 19.1609 ± 0.0005 Å
• α: 90°
• β: 100.453 ± 0.002°
• γ: 90°
• Cell volume: 5560.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No