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Information card for entry 4311244
Preview
| Coordinates | 4311244.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 Cl2 Co N4 O |
|---|---|
| Calculated formula | C21 H18 Cl2 Co N4 O |
| Title of publication | 1-D Cobalt(II) Spin Transition Compound with Strong Interchain Interaction: [Co(pyterpy)Cl2].X |
| Authors of publication | Shinya Hayami; Koichiro Hashiguchi; Gergely Juhász; Masaaki Ohba; Hisashi Ōkawa; Yonezo Maeda; Kenichi Kato; Keiichi Osaka; Masaki Takata; Katsuya Inoue |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 4124 - 4126 |
| a | 11.227 ± 0.004 Å |
| b | 11.267 ± 0.004 Å |
| c | 16.09 ± 0.006 Å |
| α | 90° |
| β | 103.75 ± 0.004° |
| γ | 90° |
| Cell volume | 1977 ± 1.2 Å3 |
| Cell temperature | 110 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.77 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193981 (current) | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
4311244.cif |
| 192841 | 2017-03-03 | cif/4/31/12/ (antanas@echidna.ibt.lt) Removing some values from the the '_geom_hbond' loop in entry 4311244 since they were incomprehensible. However, these values are still retained in the '_cod_depositor_comments' data item. |
4311244.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4311244.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311244.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311244.cif |
| 2739 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311244 via cif-deposit CGI script. |
4311244.cif |
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Users of the data should acknowledge the original authors of the
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