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Information card for entry 4314123
Preview
| Coordinates | 4314123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H57 Cl2 N6 O17 P Zn2 |
|---|---|
| Calculated formula | C24 H47 Cl2 N6 O17 P Zn2 |
| Title of publication | Macrocyclic Copper(II) and Zinc(II) Complexes Incorporating Phosphate Esters |
| Authors of publication | Fiona H. Fry; Paul Jensen; Christopher M. Kepert; Leone Spiccia |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 5637 - 5644 |
| a | 13.6248 ± 0.0002 Å |
| b | 11.6002 ± 0.0002 Å |
| c | 25.9681 ± 0.0004 Å |
| α | 90° |
| β | 102.007 ± 0.0009° |
| γ | 90° |
| Cell volume | 4014.47 ± 0.11 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.041 |
| Goodness-of-fit parameter for significantly intense reflections | 2.906 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4314123.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4314123.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4314123.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' ) & |
4314123.cif |
| 7195 | 2011-01-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4314123 via cif-deposit CGI script. |
4314123.cif |
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