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Information card for entry 2230686
Preview
| Coordinates | 2230686.cif |
|---|---|
| Structure factors | 2230686.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-oxido-bis[(1,4,8,11-tetraazacyclotetradecane- κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')dimanganese(III,IV)] bis(tetraphenylborate) chloride acetonitrile disolvate |
|---|---|
| Formula | C72 H94 B2 Cl Mn2 N10 O2 |
| Calculated formula | C72 H94 B2 Cl Mn2 N10 O2 |
| Title of publication | Di-μ-oxido-bis[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')dimanganese(III,IV)] bis(tetraphenylborate) chloride acetonitrile disolvate |
| Authors of publication | Olmstead, Marilyn M.; Boyce, David W.; Bria, Lauren E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | m824 - m825 |
| a | 11.437 ± 0.002 Å |
| b | 11.713 ± 0.002 Å |
| c | 13.967 ± 0.003 Å |
| α | 104.136 ± 0.003° |
| β | 97.697 ± 0.003° |
| γ | 107.627 ± 0.003° |
| Cell volume | 1684.9 ± 0.6 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0977 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1483 |
| Weighted residual factors for all reflections included in the refinement | 0.1726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181228 (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 2/23/06. |
2230686.cif 2230686.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. |
2230686.cif 2230686.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230686.cif 2230686.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. | 2230686.cif 2230686.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230686.cif 2230686.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230686.cif 2230686.hkl |
| 23001 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230686 via cif-deposit CGI script. |
2230686.cif |
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