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Information card for entry 2227330
Preview
| Coordinates | 2227330.cif |
|---|---|
| Structure factors | 2227330.hkl |
| Original IUCr paper | HTML |
| Chemical name | hexaaquadi-μ~3~-carbonato-hexacyclamhexa-μ~2~-hydroxido-dodeca-μ~2~-oxido- hexamanganese(IV)hexamanganese(III) octachloride tetracosahydrate |
|---|---|
| Formula | C62 H210 Cl8 Mn12 N24 O54 |
| Calculated formula | C62 H162 Cl8 Mn12 N24 O54 |
| Title of publication | Incorporation of μ~3~-CO~3~ into an Mn^III^/Mn^IV^ Mn~12~ cluster: {[(cyclam)Mn^IV^(μ-O)~2~Mn^III^(H~2~O)(μ-OH)]~6~(μ~3~-CO~3~)~2~}Cl~8~·24H~2~O |
| Authors of publication | Levaton, Ben B.; Olmstead, Marilyn M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 10 |
| Pages of publication | m1226 - m1227 |
| a | 15.2421 ± 0.0015 Å |
| b | 15.5037 ± 0.0015 Å |
| c | 17.1306 ± 0.0017 Å |
| α | 90.707 ± 0.006° |
| β | 114.523 ± 0.007° |
| γ | 115.128 ± 0.007° |
| Cell volume | 3245.8 ± 0.7 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0846 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1547 |
| Weighted residual factors for all reflections included in the refinement | 0.167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181194 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/73. |
2227330.cif 2227330.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2227330.cif 2227330.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227330.cif 2227330.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. | 2227330.cif 2227330.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227330.cif 2227330.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227330.cif 2227330.hkl |
| 4367 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227330 via cif-deposit CGI script. |
2227330.cif |
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Users of the data should acknowledge the original authors of the
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