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Information card for entry 8101807
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| Coordinates | 8101807.cif |
|---|---|
| External links | PubChem |
| Chemical name | bis(1,10-phenanthroline)bis(μ-2-methoxybenzoato-O,O')- bis(μ-2-methoxybenzoato-O,O':O')dinitrato-dineodymium(III) |
|---|---|
| Formula | C56 H44 N6 Nd2 O18 |
| Calculated formula | C56 H44 N6 Nd2 O18 |
| Title of publication | Crystal structure of bis(1,10-phenanthroline)bis(μ-2-methoxybenzoato- O,O')bis(μ-2-methoxybenzoato- O,O':O')dinitrato-dineodymium (III), Nd~2~(C~8~O~3~H~7~)~4~(NO~3~)~2~(C~12~H~8~N~2~)~2~ |
| Authors of publication | Li, X. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2005 |
| Journal volume | 220 |
| Journal issue | 3 |
| Pages of publication | 407 - 408 |
| a | 23.366 ± 0.003 Å |
| b | 10.448 ± 0.0012 Å |
| c | 24.236 ± 0.003 Å |
| α | 90° |
| β | 109.439 ± 0.002° |
| γ | 90° |
| Cell volume | 5579.4 ± 1.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8101807.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8101807.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 {}' |
8101807.cif |
| 107931 | 2014-03-24 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101807.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101807.cif |
| 12546 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101807 via cif-deposit CGI script. |
8101807.cif |
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Users of the data should acknowledge the original authors of the
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