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Information card for entry 2235513
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| Coordinates | 2235513.cif |
|---|---|
| Structure factors | 2235513.hkl |
| Original IUCr paper | HTML |
| Common name | 5297 |
|---|---|
| Chemical name | ([2.2.2]Cryptand-κ^6^<i>O</i>)potassium (η^4^-cyclooctadiene)bis(η^2^-pyrene)cobaltate(1-) pentane hemisolvate |
| Formula | C60.5 H72 Co K N2 O6 |
| Calculated formula | C60.5 H74 Co K N2 O6 |
| Title of publication | ([2.2.2]Cryptand-κ^6^<i>O</i>)potassium (η^4^-cyclooctadiene)bis(η^2^-pyrene)cobaltate(1{-}) pentane hemisolvate |
| Authors of publication | Brennessel, William W.; Ellis, John E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 7 |
| Pages of publication | m1013 - m1014 |
| a | 12.1007 ± 0.0009 Å |
| b | 12.9869 ± 0.001 Å |
| c | 18.7501 ± 0.0014 Å |
| α | 72.064 ± 0.001° |
| β | 81.595 ± 0.001° |
| γ | 68.558 ± 0.001° |
| Cell volume | 2607.5 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181277 (current) | 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 2/23/55. |
2235513.cif 2235513.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2235513.cif 2235513.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235513.cif 2235513.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. | 2235513.cif 2235513.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235513.cif 2235513.hkl |
| 63982 | 2012-08-10 | cif/ Adding structures of 2235513 via cif-deposit CGI script. |
2235513.cif |
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Users of the data should acknowledge the original authors of the
structural data.