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Information card for entry 1517164
Preview
Coordinates | 1517164.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H25 Cl F6 N3 O P Ru |
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Calculated formula | C23 H25 Cl F6 N3 O P Ru |
SMILES | [Ru]123456(Cl)([n]7ccccc7C=[N]1c1ccc(cc1)C(=O)N)[cH]1[c]2([cH]3[cH]4[c]5([cH]61)C)C(C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Discovery and Investigation of Anticancer Ruthenium-Arene Schiff-Base Complexes via Water-Promoted Combinatorial Three-Component Assembly. |
Authors of publication | Chow, Mun Juinn; Licona, Cynthia; Yuan Qiang Wong, Daniel; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han |
Journal of publication | Journal of medicinal chemistry |
Year of publication | 2014 |
Journal volume | 57 |
Journal issue | 14 |
Pages of publication | 6043 - 6059 |
a | 9.887 ± 0.002 Å |
b | 18.473 ± 0.004 Å |
c | 14.002 ± 0.003 Å |
α | 90° |
β | 104.589 ± 0.003° |
γ | 90° |
Cell volume | 2474.9 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0823 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for significantly intense reflections | 0.1214 |
Weighted residual factors for all reflections included in the refinement | 0.1308 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 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. |
1517164.cif |
130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1517164.cif |
121294 | 2014-08-05 | cif/ Updating files of 1517164 Original log message: Adding full bibliography for 1517164.cif. |
1517164.cif |
120457 | 2014-07-16 | cif/ Adding structures of 1517164 via cif-deposit CGI script. |
1517164.cif |
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