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Information card for entry 7000411
Preview
| Coordinates | 7000411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H69 Cl4 Cu2 F2 N9 O20 |
|---|---|
| Calculated formula | C62 H69 Cl4 Cu2 F2 N9 O20 |
| Title of publication | Galactose oxidase models: insights from 19F NMR spectroscopy |
| Authors of publication | Michel, Fabien; Hamman, Sylvain; Philouze, Christian; Del Valle, Carlos Perez; Saint-Aman, Eric; Thomas, Fabrice |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 5 |
| Pages of publication | 832 - 842 |
| a | 12.006 ± 0.003 Å |
| b | 17.558 ± 0.004 Å |
| c | 18.513 ± 0.002 Å |
| α | 67.13 ± 0.01° |
| β | 73.91 ± 0.01° |
| γ | 82.21 ± 0.02° |
| Cell volume | 3453.2 ± 1.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections | 1.977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193981 (current) | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
7000411.cif |
| 192835 | 2017-03-03 | cif/7/00/ (antanas@echidna.ibt.lt) Changing the values of the '_atom_site_label' and related data items (e. g. '_atom_site_aniso_label') to match each other in order to relate data from different loops in entries 7000411, 7000412, 7000638, 7004875. |
7000411.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7000411.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7000411.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000411.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000411.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000411.cif |
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Users of the data should acknowledge the original authors of the
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