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Information card for entry 1516468
Preview
| Coordinates | 1516468.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H44 K N4 O11.5 |
|---|---|
| Calculated formula | C36 H35 K N4 O11.5 |
| Title of publication | Blue transition metal complexes of a natural bilin-type chlorophyll catabolite |
| Authors of publication | Li, Chengjie; Ulrich, Markus; Liu, Xiujun; Wurst, Klaus; Müller, Thomas; Kräutler, Bernhard |
| Journal of publication | Chemical Science |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | 3388 |
| a | 11.7592 ± 0.0008 Å |
| b | 12.747 ± 0.0009 Å |
| c | 13.3933 ± 0.0009 Å |
| α | 98.948 ± 0.004° |
| β | 100.21 ± 0.004° |
| γ | 97.418 ± 0.003° |
| Cell volume | 1926.2 ± 0.2 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 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 | 0.1111 |
| Residual factor for significantly intense reflections | 0.0769 |
| Weighted residual factors for significantly intense reflections | 0.1824 |
| Weighted residual factors for all reflections included in the refinement | 0.1968 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| 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. |
1516468.cif |
| 121567 | 2014-08-08 | cif/ Updating files of 1516468 Original log message: Adding full bibliography for 1516468.cif. |
1516468.cif |
| 115047 | 2014-06-02 | cif/ Adding structures of 1516468 via cif-deposit CGI script. |
1516468.cif |
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Users of the data should acknowledge the original authors of the
structural data.