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Information card for entry 8102125
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| Coordinates | 8102125.cif |
|---|
| Chemical name | bis[(pentaqua)(4-nitrobenzonato-κO)bis(4-nitrobenzonato-κO,O')tris(μ~2~- 4-nitrobenzoato-κ-O,O')diyttrium(III)] dihydrate |
|---|---|
| Formula | C84 H72 N12 O60 Y4 |
| Calculated formula | C84 H72 N12 O60 Y4 |
| Title of publication | Crystal structure of bis((pentaaqua)(4-nitrobenzoato-κO)bis (4-nitrobenzoato-κO,O')tris(μ-4-nitrobenzoato-κO, O')-diyttrium(III)) dihydrate, Y~4~(H~2~O)~10~(C~7~H~4~NO~4~)~12~ · 2H~2~O |
| Authors of publication | Cai, Wen-Xuan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 219 - 221 |
| a | 13.618 ± 0.003 Å |
| b | 14.038 ± 0.003 Å |
| c | 14.664 ± 0.003 Å |
| α | 94.08 ± 0.03° |
| β | 106.88 ± 0.03° |
| γ | 103.06 ± 0.03° |
| Cell volume | 2584.9 ± 1.1 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102125.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 {}' |
8102125.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102125.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102125.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102125.cif |
| 12864 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102125 via cif-deposit CGI script. |
8102125.cif |
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