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Information card for entry 2228579
Preview
| Coordinates | 2228579.cif |
|---|---|
| Structure factors | 2228579.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Peroxido-bis[acetonitrilebis(ethylenediamine)cobalt(III)] tetrakis(perchlorate) |
|---|---|
| Formula | C12 H38 Cl4 Co2 N10 O18 |
| Calculated formula | C12 H38 Cl4 Co2 N10 O18 |
| SMILES | C1C[NH2][Co]2([NH2]CC[NH2]2)([NH2]1)([N]#CC)OO[Co]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[N]#CC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | μ-Peroxido-bis[acetonitrilebis(ethylenediamine)cobalt(III)] tetrakis(perchlorate) |
| Authors of publication | Regeta, Khrystyna O.; Odarich, Iryna; Pavlova, Svetlana V.; Kalibabchuk, Valentina A.; Haukka, Matti |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1631 - m1632 |
| a | 11.9747 ± 0.0007 Å |
| b | 8.3348 ± 0.0006 Å |
| c | 16.4921 ± 0.001 Å |
| α | 90° |
| β | 109.702 ± 0.005° |
| γ | 90° |
| Cell volume | 1549.66 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0432 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181206 (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 2/22/85. |
2228579.cif 2228579.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. |
2228579.cif 2228579.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228579.cif 2228579.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. | 2228579.cif 2228579.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228579.cif 2228579.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228579.cif 2228579.hkl |
| 5801 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228572, 2228573, 2228574, 2228575, 2228576, 2228577, 2228578, 2228579, 2228580, 2228581 via cif-deposit CGI script. |
2228579.cif |
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Users of the data should acknowledge the original authors of the
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