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Information card for entry 7027430
Preview
| Coordinates | 7027430.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H15 Mo N4 O8.5 |
|---|---|
| Calculated formula | C4 H10 Mo N4 O8.5 |
| Title of publication | Oxygen versus nitrogen co-ordination in complexes of MoVI and hydroxamate derivatives of α-amino acids: equilibrium, structural and theoretical studies † |
| Authors of publication | Farkas, Etelka; Csóka, Hajnalka; Bell, Gareth; Brown, David A.; Cuffe, Laurence P.; Fitzpatrick, Noel J.; Glass, William K.; Errington, William; Kemp, Terence J. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1999 |
| Journal issue | 16 |
| Pages of publication | 2789 |
| a | 7.01 ± 0.0002 Å |
| b | 13.7821 ± 0.0003 Å |
| c | 12.6683 ± 0.0002 Å |
| α | 90° |
| β | 105.3 ± 0.001° |
| γ | 90° |
| Cell volume | 1180.54 ± 0.05 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0629 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
7027430.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. |
7027430.cif |
| 95370 | 2014-01-28 | cif/ Adding structures of 7027430 via cif-deposit CGI script. |
7027430.cif |
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Users of the data should acknowledge the original authors of the
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