Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2235082
Preview
| Coordinates | 2235082.cif |
|---|---|
| Structure factors | 2235082.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2-aminomethyl-1<i>H</i>-benzimidazole- κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(nitrato-κ<i>O</i>)copper(II) |
|---|---|
| Formula | C16 H18 Cu N8 O6 |
| Calculated formula | C16 H18 Cu N8 O6 |
| SMILES | c1ccc2c(c1)[n]1c([nH]2)C[NH2][Cu]21[NH2]Cc1[n]2c2ccccc2[nH]1.[O-]N(=O)=O.[O-]N(=O)=O |
| Title of publication | Bis(2-aminomethyl-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^2^,<i>N</i>^3^)bis(nitrato-κ<i>O</i>)copper(II) |
| Authors of publication | Zhao, Jing; Zhang, Heng; Zhai, Xueliang; Zhu, Guoyi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m767 |
| a | 24.6913 ± 0.0008 Å |
| b | 24.6913 ± 0.0008 Å |
| c | 7.962 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4203.8 ± 0.3 Å3 |
| Cell temperature | 184 ± 2 K |
| Ambient diffraction temperature | 184 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0239 |
| Residual factor for significantly intense reflections | 0.0233 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Weighted residual factors for all reflections included in the refinement | 0.0634 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181272 (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 2/23/50. |
2235082.cif 2235082.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. |
2235082.cif 2235082.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235082.cif 2235082.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. | 2235082.cif 2235082.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235082.cif 2235082.hkl |
| 61730 | 2012-07-05 | cif/ Adding structures of 2235082 via cif-deposit CGI script. |
2235082.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.