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Information card for entry 2018722
Preview
| Coordinates | 2018722.cif |
|---|---|
| Structure factors | 2018722.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | di-μ-oxido-bis(bis{3-[bis(pyridin-2-ylmethyl)amino]propionato}manganese(IV)) bis[triaquatetranitratocerate(IV)] |
|---|---|
| Formula | C30 H44 Ce2 Mn2 N14 O36 |
| Calculated formula | C30 H44 Ce2 Mn2 N14 O36 |
| SMILES | C1(=O)O[Mn]2345(O[Mn]6785([N](CCC(=O)O8)(Cc5cccc[n]65)Cc5[n]7cccc5)O4)[N](CC1)(Cc1cccc[n]21)Cc1[n]3cccc1.N1(=[O][Ce]234(O1)([O]=N(O2)=O)([O]=N(=O)O3)([O]=N(=O)O4)([OH2])([OH2])[OH2])=O.N1(=[O][Ce]234(O1)([O]=N(=O)O2)([O]=N(=O)O3)([O]=N(=O)O4)([OH2])([OH2])[OH2])=O |
| Title of publication | Oxidation of a dinuclear manganese(II) complex to an oxide-bridged dimanganese(IV) complex |
| Authors of publication | Lennartson, Anders; McKenzie, Christine J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m347 - m352 |
| a | 9.8698 ± 0.0005 Å |
| b | 10.6007 ± 0.0006 Å |
| c | 13.9273 ± 0.0008 Å |
| α | 94.978 ± 0.003° |
| β | 110.547 ± 0.002° |
| γ | 104.276 ± 0.002° |
| Cell volume | 1297.99 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0186 |
| Residual factor for significantly intense reflections | 0.0165 |
| Weighted residual factors for significantly intense reflections | 0.0408 |
| Weighted residual factors for all reflections included in the refinement | 0.0421 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018722.cif 2018722.hkl |
| 180856 | 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 2/01/87. |
2018722.cif 2018722.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. |
2018722.cif 2018722.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018722.cif 2018722.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. | 2018722.cif 2018722.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018722.cif 2018722.hkl |
| 71273 | 2013-01-18 | cif/ Adding structures of 2018720, 2018721, 2018722 via cif-deposit CGI script. |
2018722.cif |
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Users of the data should acknowledge the original authors of the
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