Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4505345
Preview
| Coordinates | 4505345.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C26 H16 Cl2 Hg Mn N6 |
|---|---|
| Calculated formula | C26 H16 Cl2 Hg Mn N6 |
| SMILES | [Hg](C#N)C#N.[Mn]12(Cl)(Cl)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13 |
| Title of publication | Tuning the Structures of Mercury Cyanide-Based Coordination Polymers with Transition Metal Cations |
| Authors of publication | Draper, Neil D.; Batchelor, Raymond J.; Leznoff, Daniel B. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2004 |
| Journal volume | 4 |
| Journal issue | 3 |
| Pages of publication | 621 |
| a | 15.998 ± 0.005 Å |
| b | 8.853 ± 0.003 Å |
| c | 18.797 ± 0.008 Å |
| α | 90° |
| β | 107.42 ± 0.03° |
| γ | 90° |
| Cell volume | 2540.1 ± 1.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for significantly intense reflections | 0.0635 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.4414 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4505345.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4505345.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505345.cif |
| 51397 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505344, 4505345, 4505346, 4505347, 4505348, 4505349, 4505350, 4505351, 4505352 via cif-deposit CGI script. |
4505345.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.