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Information card for entry 4318780
Preview
| Coordinates | 4318780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 Cl3 N4 O2 Re |
|---|---|
| Calculated formula | C18 H22 Cl3 N3 O2 Re |
| Title of publication | {ReIIICl3} Core Complexes with Bifunctional Single Amino Acid Chelates |
| Authors of publication | Sangeeta Ray Banerjee; Lihui Wei; Murali K. Levadala; Neva Lazarova; Vladimir O. Golub; Charles J. O'Connor; Karin A. Stephenson; John F. Valliant; John W. Babich; Jon Zubieta |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 5795 - 5802 |
| a | 16.088 ± 0.003 Å |
| b | 9.9804 ± 0.0016 Å |
| c | 12.829 ± 0.002 Å |
| α | 90° |
| β | 91.384 ± 0.003° |
| γ | 90° |
| Cell volume | 2059.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179267 (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 4/31/87. |
4318780.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318780.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318780.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' ) & |
4318780.cif |
| 15504 | 2011-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4318780 via cif-deposit CGI script. |
4318780.cif |
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