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Information card for entry 8102473
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| Coordinates | 8102473.cif |
|---|
| Formula | C6 H6 Cd I N O3 |
|---|---|
| Calculated formula | C6 H6 Cd I N O3 |
| Title of publication | Crystal structure of poly[(nicotinato-O,O':N)-iodomonoaquacadmium(II)], [CdI(C6H4NO2)(H2O)]n |
| Authors of publication | Lei Yang; Li Liu; Suping Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 3 |
| Pages of publication | 423 |
| a | 7.506 ± 0.002 Å |
| b | 7.986 ± 0.002 Å |
| c | 9.014 ± 0.003 Å |
| α | 104.13 ± 0.003° |
| β | 91.82 ± 0.004° |
| γ | 114.491 ± 0.003° |
| Cell volume | 471.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0487 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102473.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. |
8102473.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
8102473.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102473.cif |
| 13212 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102473 via cif-deposit CGI script. |
8102473.cif |
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Users of the data should acknowledge the original authors of the
structural data.