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Information card for entry 4123347
Preview
| Coordinates | 4123347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41.52 H38.08 Co2 N1.64 O12.35 S4 |
|---|---|
| Calculated formula | C41.516 H38.077 Co2 N1.642 O12.348 S4 |
| Title of publication | Cation-dependent intrinsic electrical conductivity in isostructural tetrathiafulvalene-based microporous metal-organic frameworks. |
| Authors of publication | Park, Sarah S.; Hontz, Eric R.; Sun, Lei; Hendon, Christopher H.; Walsh, Aron; Van Voorhis, Troy; Dincă, Mircea |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 5 |
| Pages of publication | 1774 - 1777 |
| a | 19.3867 ± 0.0007 Å |
| b | 19.3867 ± 0.0007 Å |
| c | 20.8268 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6778.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0416 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288193 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name. |
4123347.cif |
| 179035 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33. |
4123347.cif |
| 132901 | 2015-03-04 | cif/ Updating files of 4123347, 4123348, 4123349 Original log message: Adding full bibliography for 4123347--4123349.cif. |
4123347.cif |
| 130556 | 2015-02-04 | cif/ Adding structures of 4123347 via cif-deposit CGI script. |
4123347.cif |
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Users of the data should acknowledge the original authors of the
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