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Information card for entry 8102134
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| Coordinates | 8102134.cif |
|---|
| Chemical name | aqua(N,N'-disalicylideneethylenediamino)(nicotinato-N)manganese(III) |
|---|---|
| Formula | C22 H20 Mn N3 O5 |
| Calculated formula | C22 H20 Mn N3 O5 |
| SMILES | [Mn]123([N](=Cc4c(O2)cccc4)CC[N]1=Cc1ccccc1O3)([n]1cccc(c1)C(=O)[O-])[OH2] |
| Title of publication | Crystal structure of aqua(N,N'-disalicylideneethylenediamino)(nicotinato- N)manganese(III), Mn(C~6~H~4~NO~2~)(C~16~H~14~N~2~O~2~)(H~2~O) |
| Authors of publication | Li, Shu-Ni; Wei, Xiao-Yun; Wang, Xiu-Hang; Hu, Man-Cheng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 3 |
| Pages of publication | 241 - 242 |
| a | 6.5219 ± 0.0005 Å |
| b | 17.7925 ± 0.0014 Å |
| c | 17.3437 ± 0.0013 Å |
| α | 90° |
| β | 100.664 ± 0.001° |
| γ | 90° |
| Cell volume | 1977.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102134.cif |
| 108388 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102134.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102134.cif |
| 12873 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102134 via cif-deposit CGI script. |
8102134.cif |
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