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Information card for entry 2233881
Preview
| Coordinates | 2233881.cif |
|---|---|
| Structure factors | 2233881.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato- κ^2^<i>O</i>,<i>O</i>']manganese(II) monohydrate |
|---|---|
| Formula | C38 H32 Mn N4 O5 |
| Calculated formula | C38 H30 Mn N4 O4 |
| SMILES | c1ccc2c(c1)[n](c[nH]2)[Mn]12(OC(=[O]1)Cc1cccc4c1cccc4)(OC(=[O]2)Cc1cccc2c1cccc2)[n]1c[nH]c2c1cccc2 |
| Title of publication | Bis(1<i>H</i>-benzimidazole-κ<i>N</i>^3^)bis[2-(naphthalen-1-yl)acetato-κ^2^<i>O</i>,<i>O</i>']manganese(II) monohydrate |
| Authors of publication | Zhang, Zhen-Ming; Yin, Fu-Jun; Li, Shu-An; Wang, Li-Ping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m328 |
| a | 11.654 ± 0.007 Å |
| b | 20.013 ± 0.012 Å |
| c | 14.329 ± 0.012 Å |
| α | 90° |
| β | 106.148 ± 0.007° |
| γ | 90° |
| Cell volume | 3210 ± 4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0896 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (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 2/23/38. |
2233881.cif 2233881.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. |
2233881.cif 2233881.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233881.cif 2233881.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. | 2233881.cif 2233881.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233881.cif 2233881.hkl |
| 51133 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233881 via cif-deposit CGI script. |
2233881.cif |
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Users of the data should acknowledge the original authors of the
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