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Information card for entry 4104127
Preview
| Coordinates | 4104127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 Au3 Cd K N6 |
|---|---|
| Calculated formula | C6 Au3 Cd K N6 |
| Title of publication | Impact of Metallophilicity on "Colossal" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers |
| Authors of publication | Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 4866 - 4871 |
| a | 6.9098 ± 0.0002 Å |
| b | 6.9098 ± 0.0002 Å |
| c | 8.1724 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 337.92 ± 0.02 Å3 |
| Cell temperature | 395 K |
| Ambient diffraction temperature | 395 K |
| Number of distinct elements | 5 |
| Space group number | 149 |
| Hermann-Mauguin space group symbol | P 3 1 2 |
| Hall space group symbol | P 3 2 |
| Residual factor for all reflections | 0.0575 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for all reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0246 |
| Weighted residual factors for all reflections included in the refinement | 0.0233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.5305 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4104127.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' |
4104127.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104127.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104127.cif |
| 28636 | 2011-10-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4104127 via cif-deposit CGI script. |
4104127.cif |
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Users of the data should acknowledge the original authors of the
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