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Information card for entry 2019635
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| Coordinates | 2019635.cif |
|---|---|
| Structure factors | 2019635.hkl |
| Original IUCr paper | HTML |
| Common name | 2249 |
|---|---|
| Chemical name | Bis[([2.2.2]cryptand)potassium(I)] tris(2,2'-bipyridine)ferrate(‒I) anthrancene(‒I) |
| Formula | C80 H106 Fe K2 N10 O12 |
| Calculated formula | C80 H106 Fe K2 N10 O12 |
| SMILES | [n]12ccccc1c1[n]([Fe]342([n]2ccccc2c2cccc[n]32)[n]2ccccc2c2cccc[n]42)cccc1.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9.c1cccc2cc3ccccc3cc12.[K]1234567[N]89CC[O]1CC[O]2CC[N]3(CC[O]4CC[O]5CC8)CC[O]6CC[O]7CC9 |
| Title of publication | Homoleptic 2,2'-bipyridine metalates(‒I) of iron and cobalt, one cocrystallized with an anthracene radical anion and the other with neutral anthracene |
| Authors of publication | Brennessel, William W.; Ellis, John E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 8 |
| Pages of publication | 828 - 832 |
| a | 23.049 ± 0.004 Å |
| b | 17.067 ± 0.003 Å |
| c | 21.543 ± 0.003 Å |
| α | 90° |
| β | 109.779 ± 0.003° |
| γ | 90° |
| Cell volume | 7975 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1135 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181866 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/96. |
2019635.cif 2019635.hkl |
| 180864 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/96. |
2019635.cif 2019635.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019635.cif 2019635.hkl |
| 121044 | 2014-08-01 | cif/ hkl/ Adding structures of 2019635, 2019636 via cif-deposit CGI script. |
2019635.cif 2019635.hkl |
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Users of the data should acknowledge the original authors of the
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