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Information card for entry 4340148
Preview
| Coordinates | 4340148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112.3 H112.6 Cl14.6 F3 Mo4 N16 O15 S |
|---|---|
| Calculated formula | C112.3 H112.6 Cl14.6 F3 Mo4 N16 O15 S |
| Title of publication | Strong electronic interaction between two dimolybdenum units linked by a tetraazatetracene. |
| Authors of publication | Cotton, F. Albert; Li, Zhong; Liu, Chun Y.; Murillo, Carlos A.; Villagrán, Dino |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 2 |
| Pages of publication | 767 - 778 |
| a | 17.881 ± 0.005 Å |
| b | 23.811 ± 0.006 Å |
| c | 29.914 ± 0.008 Å |
| α | 90° |
| β | 93.715 ± 0.005° |
| γ | 90° |
| Cell volume | 12710 ± 6 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0954 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1462 |
| Weighted residual factors for all reflections included in the refinement | 0.185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4340148.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). |
4340148.cif |
| 118651 | 2014-06-30 | cif/ Adding structures of 4340147, 4340148, 4340149, 4340150, 4340151 via cif-deposit CGI script. |
4340148.cif |
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Users of the data should acknowledge the original authors of the
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