Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4510714
Preview
| Coordinates | 4510714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | {[Mn2(1,2-tppn)2(adc)](ClO4)2}.2CH3CN |
|---|---|
| Formula | C62 H66 Cl2 Mn2 N14 O12 |
| Calculated formula | C62 H66 Cl2 Mn2 N14 O12 |
| SMILES | C(=O)(C#CC(=O)O[Mn]12345[N](Cc6[n]4cccc6)(Cc4[n]5cccc4)[C@@H](C)C[N]1(Cc1cccc[n]21)Cc1[n]3cccc1)O[Mn]12345[N](Cc6[n]4cccc6)(Cc4[n]5cccc4)[C@H](C)C[N]1(Cc1cccc[n]21)Cc1[n]3cccc1.N#CC.[O-]Cl(=O)(=O)=O.N#CC.[O-]Cl(=O)(=O)=O |
| Title of publication | Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures |
| Authors of publication | Khullar, Sadhika; Mandal, Sanjay K. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 3116 |
| a | 25.8848 ± 0.0007 Å |
| b | 12.8247 ± 0.0003 Å |
| c | 20.143 ± 0.0005 Å |
| α | 90° |
| β | 106.243 ± 0.001° |
| γ | 90° |
| Cell volume | 6419.9 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1619 |
| Weighted residual factors for all reflections included in the refinement | 0.1819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179654 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/07. |
4510714.cif |
| 113127 | 2014-05-08 | cif/ Adding structures of 4510713, 4510714, 4510715, 4510716, 4510717 via cif-deposit CGI script. |
4510714.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.