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Information card for entry 1514149
Preview
Coordinates | 1514149.cif |
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Original paper (by DOI) | HTML |
Formula | C30.5 H27 Co F6 N6 O6 S2 |
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Calculated formula | C30.5 H27 Co F6 N6 O6 S2 |
Title of publication | Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts |
Authors of publication | Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N. |
Journal of publication | Energy & Environmental Science |
Year of publication | 2014 |
Journal volume | 7 |
Journal issue | 4 |
Pages of publication | 1477 |
a | 24.9411 ± 0.0013 Å |
b | 11.4329 ± 0.0004 Å |
c | 26.1884 ± 0.0009 Å |
α | 90° |
β | 116.585 ± 0.002° |
γ | 90° |
Cell volume | 6678.1 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.1204 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1393 |
Weighted residual factors for all reflections included in the refinement | 0.1675 |
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 | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1514149.cif |
108347 | 2014-03-30 | cif/ Adding structures of 1514143, 1514144, 1514145, 1514146, 1514147, 1514148, 1514149 via cif-deposit CGI script. |
1514149.cif |
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Users of the data should acknowledge the original authors of the
structural data.