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Information card for entry 2231184
Preview
| Coordinates | 2231184.cif |
|---|---|
| Structure factors | 2231184.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-acetato-bis(dimethylformamide)pentakis(μ- <i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(1- ethylimidazole)pentamanganese(III)manganese(II)‒ diethyl ether‒dimethylforamide‒methanol‒water (1/1/1/1/0.12) |
|---|---|
| Formula | C73 H93.24838 Mn6 N16 O24.12419 |
| Calculated formula | C73 H93.248 Mn6 N16 O24.124 |
| Title of publication | Di-μ-acetato-bis(dimethylformamide)pentakis(μ-<i>N</i>,2-dioxidobenzene-1-carboximidato)tetrakis(1-ethylimidazole)pentamanganese(III)manganese(II)‒diethyl ether‒dimethylforamide‒methanol‒water (1/1/1/1/0.12) |
| Authors of publication | Tigyer, Benjamin R.; Zeller, Matthias; Zaleski, Curtis M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1041 - m1042 |
| a | 12.604 ± 0.002 Å |
| b | 17.188 ± 0.003 Å |
| c | 20.99 ± 0.004 Å |
| α | 103.564 ± 0.003° |
| β | 97.322 ± 0.003° |
| γ | 107.658 ± 0.003° |
| Cell volume | 4114.2 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181233 (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 2/23/11. |
2231184.cif 2231184.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. |
2231184.cif 2231184.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231184.cif 2231184.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. | 2231184.cif 2231184.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231184.cif 2231184.hkl |
| 27092 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231184 via cif-deposit CGI script. |
2231184.cif |
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Users of the data should acknowledge the original authors of the
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