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Information card for entry 7104006
Preview
| Coordinates | 7104006.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H35 Cl3 Cu N2 O |
|---|---|
| Calculated formula | C31 H35 Cl3 Cu N2 O |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2003 |
| a | 8.8538 ± 0.0009 Å |
| b | 13.1058 ± 0.0014 Å |
| c | 13.7598 ± 0.0016 Å |
| α | 88.321 ± 0.004° |
| β | 74.91 ± 0.003° |
| γ | 77.254 ± 0.004° |
| Cell volume | 1502.92 ± 0.03 Å3 |
| Cell temperature | 156 ± 2 K |
| Ambient diffraction temperature | 164 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1341 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1374 |
| Weighted residual factors for all reflections included in the refinement | 0.1542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.841 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180143 (current) | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/40. |
7104006.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7104006.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7104006.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' ) & |
7104006.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7104006.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7104006.cif |
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