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Information card for entry 2231675
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| Coordinates | 2231675.cif |
|---|---|
| Structure factors | 2231675.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-imidazole- κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)cobalt(II) |
|---|---|
| Formula | C19 H14 Co N8 O S2 |
| Calculated formula | C19 H14 Co N8 O S2 |
| SMILES | [Co]1([n]2c3c(C(=O)c4c3[n]1ccc4)ccc2)([n]1c[nH]cc1)([n]1c[nH]cc1)(N=C=S)N=C=S |
| Title of publication | (4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(thiocyanato-κ<i>N</i>)cobalt(II) |
| Authors of publication | Feng, Xiu-Ling; Zhang, Yu-Ping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1171 |
| a | 9.2239 ± 0.0009 Å |
| b | 10.92 ± 0.001 Å |
| c | 11.9441 ± 0.0012 Å |
| α | 71.578 ± 0.001° |
| β | 70.582 ± 0.001° |
| γ | 73.931 ± 0.002° |
| Cell volume | 1056.48 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1144 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1478 |
| Weighted residual factors for all reflections included in the refinement | 0.1915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 2230977 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
2231675.cif 2231675.hkl |
| 181238 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/16. |
2231675.cif 2231675.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231675.cif 2231675.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231675.cif 2231675.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231675.cif 2231675.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231675.cif 2231675.hkl |
| 27806 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231675 via cif-deposit CGI script. |
2231675.cif |
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Users of the data should acknowledge the original authors of the
structural data.