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Information card for entry 4300009
Preview
| Coordinates | 4300009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(potassium-[2.2.2]-cryptand) bis(maleonitrilediselenolate)nickelate(ii) |
|---|---|
| Chemical name | bis(potassium-4,7,13,16,21,24-hexaoxa-1,10-diazobicyclo[8.8.8]hexacosane) bis(cis-1,2-dicyano,1,2-diselenato-ethene-Se-Se')nickelate(ii) |
| Formula | C44 H72 K2 N8 Ni O12 Se4 |
| Calculated formula | C44 H72 K2 N8 Ni O12 Se4 |
| SMILES | C1(=C(C#N)[Se][Ni]2([Se]1)[Se]C(=C(C#N)[Se]2)C#N)C#N.[K]1234567[O]8CC[O]1CC[N]12CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1.[K]1234567[O]8CC[O]1CC[N]12CC[O]3CC[O]4CC[N]5(CC8)CC[O]6CC[O]7CC1 |
| Title of publication | Facile Syntheses and Structures of New Metal-Maleonitrilediselenolates [K([2.2.2]-cryptand)]3[Ag(Se2C2(CN)2)(Se6)], [K([2.2.2]-cryptand)]2[Ni(Se2C2(CN)2)2], and Ni(dppp)(Se2C2(CN)2) |
| Authors of publication | Craig C. McLauchlan; James A. Ibers |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 1046 - 1048 |
| a | 12.2196 ± 0.0011 Å |
| b | 15.8602 ± 0.0015 Å |
| c | 15.3055 ± 0.0014 Å |
| α | 90° |
| β | 107.644 ± 0.002° |
| γ | 90° |
| Cell volume | 2826.7 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0791 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0814 |
| Weighted residual factors for all reflections included in the refinement | 0.0873 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179038 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/00. |
4300009.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300009.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300009.cif |
| 19561 | 2011-05-20 | cif/4 Updated CIFs and mysql data for Issue 5 of Inorg. Chem. 2000 files |
4300009.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4300009.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4300009.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4300009.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300009.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4300009.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4300009.cif |
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