Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2228463
Preview
| Coordinates | 2228463.cif |
|---|---|
| Structure factors | 2228463.hkl |
| Original IUCr paper | HTML |
| Chemical name | (cyanato-κ<i>N</i>){2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato- κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) |
|---|---|
| Formula | C17 H14 Mn N3 O3 |
| Calculated formula | C17 H14 Mn N3 O3 |
| SMILES | [Mn]123(Oc4c(cccc4)C=[N]2CC[N]3=Cc2c(O1)cccc2)N=C=O |
| Title of publication | Monoclinic form of (cyanato-κ<i>N</i>){2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) |
| Authors of publication | Zhang, Daopeng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1656 |
| a | 9.6399 ± 0.0016 Å |
| b | 10.9133 ± 0.0018 Å |
| c | 15.198 ± 0.003 Å |
| α | 90° |
| β | 97.826 ± 0.003° |
| γ | 90° |
| Cell volume | 1584 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0853 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (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 2/22/84. |
2228463.cif 2228463.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. |
2228463.cif 2228463.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228463.cif 2228463.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. | 2228463.cif 2228463.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228463.cif 2228463.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228463.cif 2228463.hkl |
| 5790 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228462, 2228463, 2228464, 2228465, 2228466, 2228467, 2228468, 2228469, 2228470, 2228471 via cif-deposit CGI script. |
2228463.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.