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Information card for entry 4341771
Preview
| Coordinates | 4341771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H48 Cu3 N14 O26 |
|---|---|
| Calculated formula | C48 H48 Cu3 N14 O26 |
| SMILES | c1(cccc2[n]1[Cu]1([n]3c(OC)cccc3c3[n]1c(OC)ccc3)([n]1c2cccc1OC)ON(=O)=O)OC.N(=O)(=O)O[Cu](ON(=O)=O)(ON(=O)=O)ON(=O)=O.c1(cccc2c3cccc([n]3[Cu]3([n]12)([n]1c(OC)cccc1c1[n]3c(OC)ccc1)ON(=O)=O)OC)OC |
| Title of publication | Studies of the Pathways Open to Copper Water Oxidation Catalysts Containing Proximal Hydroxy Groups During Basic Electrocatalysis. |
| Authors of publication | Gerlach, Deidra L.; Bhagan, Salome; Cruce, Alex A.; Burks, Dalton B.; Nieto, Ismael; Truong, Hai T.; Kelley, Steven P.; Herbst-Gervasoni, Corey J; Jernigan, Katherine L.; Bowman, Michael K.; Pan, Shanlin; Zeller, Matthias; Papish, Elizabeth T. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141203162841007 |
| a | 10.8 ± 0.004 Å |
| b | 11.765 ± 0.004 Å |
| c | 12.475 ± 0.005 Å |
| α | 67.278 ± 0.005° |
| β | 74.688 ± 0.005° |
| γ | 77.286 ± 0.005° |
| Cell volume | 1397.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0538 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179520 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/17. |
4341771.cif |
| 128214 | 2014-12-06 | cif/ Adding structures of 4341769, 4341770, 4341771, 4341772, 4341773 via cif-deposit CGI script. |
4341771.cif |
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