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Information card for entry 4319086
Preview
| Coordinates | 4319086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H40 F12 N9 O13 Rh S5 |
|---|---|
| Calculated formula | C23 H40 F12 N9 O13 Rh S5 |
| Title of publication | Thermally Inert Metal Ammines as Light-Inducible DNA-Targeted Agents. Synthesis, Photochemistry, and Photobiology of a Prototypical Rhodium(III)-Intercalator Conjugate |
| Authors of publication | Colin G. Barry; Elizabeth C. Turney; Cynthia S. Day; Gilda Saluta; Gregory L. Kucera; Ulrich Bierbach |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 7159 - 7169 |
| a | 12.0876 ± 0.001 Å |
| b | 12.3137 ± 0.001 Å |
| c | 15.6749 ± 0.0012 Å |
| α | 108.658 ± 0.007° |
| β | 97.767 ± 0.007° |
| γ | 97.66 ± 0.007° |
| Cell volume | 2151.1 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0673 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179270 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/90. |
4319086.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319086.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319086.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4319086.cif |
| 15816 | 2011-03-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4319086 via cif-deposit CGI script. |
4319086.cif |
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