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Information card for entry 1506891
Preview
| Coordinates | 1506891.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31.25 H29.25 Cl8.75 N5 O4 Ru S2 |
|---|---|
| Calculated formula | C31.0613 H28.865 Cl8.184 N5 O4 Ru S2 |
| Title of publication | Ruthenium complexes as protein kinase inhibitors. |
| Authors of publication | Zhang, Lilu; Carroll, Patrick; Meggers, Eric |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 521 - 523 |
| a | 31.901 ± 0.0019 Å |
| b | 31.901 ± 0.0019 Å |
| c | 15.8767 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16157.3 ± 1.6 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1594 |
| Weighted residual factors for all reflections included in the refinement | 0.1749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
1506891.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1506891.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506891.cif |
| 51526 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506891 via cif-deposit CGI script. |
1506891.cif |
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Users of the data should acknowledge the original authors of the
structural data.