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Information card for entry 7028096
Preview
| Coordinates | 7028096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46.25 H26 B F15 Mo N2 O6 |
|---|---|
| Calculated formula | C46.25 H26 B F15 Mo N2 O6 |
| Title of publication | Reactions of oxo- and peroxo-molybdenum complexes with B(C6F5)3: crystal structures of cis-[MoO{OB(C6F5)3}(η2-ONEt2)2] and cis-[MoO{OB(C6F5)3}{η2-PhN(O)C(O)Ph}2] |
| Authors of publication | Doerrer, Linda H.; Galsworthy, Jane R.; Green, Malcolm L. H.; Leech, Michael A.; Müller, Matthias |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1998 |
| Journal issue | 19 |
| Pages of publication | 3191 |
| a | 10.284 ± 0.0008 Å |
| b | 12.409 ± 0.0008 Å |
| c | 18.598 ± 0.002 Å |
| α | 102.5 ± 0.005° |
| β | 98.19 ± 0.004° |
| γ | 106.397 ± 0.004° |
| Cell volume | 2169.7 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0455 |
| Goodness-of-fit parameter for significantly intense reflections | 1.1318 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7028096.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. |
7028096.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7028096.cif |
| 97587 | 2014-01-29 | cif/ Adding structures of 7028096 via cif-deposit CGI script. |
7028096.cif |
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Users of the data should acknowledge the original authors of the
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