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Information card for entry 4339452
Preview
| Coordinates | 4339452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H9 Ag2 Fe I2 N6 |
|---|---|
| Calculated formula | C14 H8 Ag2 Fe I2 N6 |
| Title of publication | Spin-crossover behavior in cyanide-bridged iron(II)-silver(I) bimetallic 2D Hofmann-like metal-organic frameworks. |
| Authors of publication | Muñoz, M Carmen; Gaspar, Ana B.; Galet, Ana; Real, José A |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 20 |
| Pages of publication | 8182 - 8192 |
| a | 16.786 ± 0.0007 Å |
| b | 12.893 ± 0.0006 Å |
| c | 19.156 ± 0.001 Å |
| α | 90° |
| β | 97.442 ± 0.002° |
| γ | 90° |
| Cell volume | 4110.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1077 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179497 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/94. |
4339452.cif |
| 132589 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name *.cif | xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s*\'(\d*\.\d*)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion). |
4339452.cif |
| 117336 | 2014-06-14 | cif/ Adding structures of 4339448, 4339449, 4339450, 4339451, 4339452, 4339453, 4339454 via cif-deposit CGI script. |
4339452.cif |
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