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Information card for entry 2235081
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| Coordinates | 2235081.cif |
|---|---|
| Structure factors | 2235081.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(2,6-dihydroxybenzoato-κ<i>O</i>^1^)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II) 2,6-dihydroxybenzoate hemihydrate |
|---|---|
| Formula | C38 H29 Mn N4 O9.5 |
| Calculated formula | C38 H29 Mn N4 O9.5 |
| Title of publication | Aqua(2,6-dihydroxybenzoato-κ<i>O</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) 2,6-dihydroxybenzoate hemihydrate |
| Authors of publication | Li, Quanwei; He, Li; Jin, Hongxiao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m798 |
| a | 30.0648 ± 0.0007 Å |
| b | 8.2468 ± 0.0002 Å |
| c | 27.3311 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6776.4 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0554 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181272 (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 2/23/50. |
2235081.cif 2235081.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. |
2235081.cif 2235081.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235081.cif 2235081.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. | 2235081.cif 2235081.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235081.cif 2235081.hkl |
| 61729 | 2012-07-05 | cif/ Adding structures of 2235081 via cif-deposit CGI script. |
2235081.cif |
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Users of the data should acknowledge the original authors of the
structural data.