Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019407
Preview
| Coordinates | 2019407.cif |
|---|---|
| Structure factors | 2019407.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[dichloridomanganese(II)]-μ-1,1-diphenyl-3,3'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(azaniumylylidene)]dibut-1-en-1-olate-κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C26 H30 Cl2 Mn N2 O2 |
| Calculated formula | C26 H30 Cl2 Mn N2 O2 |
| SMILES | [Mn](Cl)(Cl)([O]=C(c1ccccc1)/C=C(/C)N[C@@H]1CCCC[C@H]1N/C(C)=C\C(c1ccccc1)=O)[O]=C(c1ccccc1)/C=C(/C)N[C@H]1[C@@H](CCCC1)N/C(C)=C\C(c1ccccc1)=[O][Mn](Cl)Cl |
| Title of publication | A one-dimensional coordination polymer formed from the reaction of 1,1-diphenyl-3,3'-[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diylbis(azanediyl)]dibut-2-en-1-one with MnCl~2~·4H~2~O |
| Authors of publication | Zhang, Qi-Long; Pan, Lu-Tai |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 16 - 18 |
| a | 10.014 ± 0.002 Å |
| b | 9.758 ± 0.002 Å |
| c | 13.667 ± 0.003 Å |
| α | 90° |
| β | 98.668 ± 0.008° |
| γ | 90° |
| Cell volume | 1320.2 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019407.cif 2019407.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019407.cif 2019407.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019407.cif 2019407.hkl |
| 104773 | 2014-03-11 | cif/ hkl/ Adding structures of 2019407 via cif-deposit CGI script. |
2019407.cif 2019407.hkl |
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.