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Information card for entry 4340149
Preview
| Coordinates | 4340149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Mo2(DAniF)3]2C14H8N4(PF6)2,4CH2Cl2 |
|---|---|
| Formula | C108 H106 Cl8 F12 Mo4 N16 O12 P2 |
| Calculated formula | C108 H106 Cl8 F12 Mo4 N16 O12 P2 |
| 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 | 12.336 ± 0.0015 Å |
| b | 16.948 ± 0.002 Å |
| c | 17.203 ± 0.002 Å |
| α | 60.865 ± 0.002° |
| β | 81.414 ± 0.002° |
| γ | 70.215 ± 0.002° |
| Cell volume | 2955.6 ± 0.6 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179504 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/01. |
4340149.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). |
4340149.cif |
| 118651 | 2014-06-30 | cif/ Adding structures of 4340147, 4340148, 4340149, 4340150, 4340151 via cif-deposit CGI script. |
4340149.cif |
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