Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2231876
Preview
| Coordinates | 2231876.cif |
|---|---|
| Structure factors | 2231876.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridobis(dimethylformamide- κ<i>O</i>)hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)tetracadmium |
|---|---|
| Formula | C24 H38 Cd4 Cl8 N14 O2 |
| Calculated formula | C24 H38 Cd4 Cl8 N14 O2 |
| SMILES | c1[n](cc[nH]1)[Cd]12([n]3c[nH]cc3)([O]=CN(C)C)[Cl]3[Cd]4(Cl)([n]5c[nH]cc5)([Cl][Cd]5([n]6c[nH]cc6)([n]6c[nH]cc6)([O]=CN(C)C)[Cl][Cd]3([n]3c[nH]cc3)([Cl]1)(Cl)[Cl]45)[Cl]2 |
| Title of publication | Di-μ~3~-chlorido-tetra-μ~2~-chlorido-dichloridobis(dimethylformamide-κ<i>O</i>)hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)tetracadmium |
| Authors of publication | Zhu, Run-Qiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1416 |
| a | 8.254 ± 0.0017 Å |
| b | 12.29 ± 0.003 Å |
| c | 21.119 ± 0.004 Å |
| α | 90° |
| β | 99.23 ± 0.03° |
| γ | 90° |
| Cell volume | 2114.6 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0354 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0667 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181240 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/18. |
2231876.cif 2231876.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231876.cif 2231876.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231876.cif 2231876.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. | 2231876.cif 2231876.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231876.cif 2231876.hkl |
| 29116 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231876 via cif-deposit CGI script. |
2231876.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.