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Information card for entry 7203893
Preview
| Coordinates | 7203893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H80 Mn N8 |
|---|---|
| Calculated formula | C86 H80 Mn N8 |
| Title of publication | Structure and magnetic properties of meso-tetrakis(2,4,6-trimethylphenyl)porphyrinatomanganese(iii) 7,7,8,8-tetracyano-2,5-dimethyl-p-quinodimethanide with a 2.3 K Tc. The first example of cis coordination of a tetracyano-p-quinodimethanide |
| Authors of publication | Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Miller, Joel S.; Iwasaki, Kentaro; Umishita, Kazunori; Hino, Shojun; Sakata, Yoshiteru |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2000 |
| Journal volume | 10 |
| Journal issue | 4 |
| Pages of publication | 959 |
| a | 15.46 ± 0.005 Å |
| b | 16.781 ± 0.007 Å |
| c | 15.429 ± 0.006 Å |
| α | 115.28 ± 0.03° |
| β | 90.88 ± 0.03° |
| γ | 90.88 ± 0.03° |
| Cell volume | 3618 ± 3 Å3 |
| Cell temperature | 198.2 K |
| Ambient diffraction temperature | 198.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0756 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.384 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7203893.cif |
| 134283 | 2015-03-24 | cif/ (antanas@echidna.ibt.lt) Replaced '_reflns_observed_expression', '_atom_type_scat_imag' and '_atom_site_calc_flags' tags with their correct tag counterparts ('_reflns_threshold_expression', '_atom_type_scat_dispersion_imag', '_atom_site_calc_flag'). The following command was used on the CIFs containing the tags: xargs -n1 -I{} sh -c 'cif_correct_tags --r cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst {} | cif_filter -h {} | sponge {}' A total of 124 files were changed. |
7203893.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203893.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203893.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7203893.cif |
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Users of the data should acknowledge the original authors of the
structural data.