Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2232445
Preview
| Coordinates | 2232445.cif |
|---|---|
| Structure factors | 2232445.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ-1,3-bis[(2-methyl-1<i>H</i>-benzimidazol-1-yl)methyl]benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^}bis(diiodidocadmium) |
|---|---|
| Formula | C48 H44 Cd2 I4 N8 |
| Calculated formula | C48 H44 Cd2 I4 N8 |
| SMILES | I[Cd]1([n]2c(C)n(c3c2cccc3)Cc2cccc(Cn3c(C)[n](c4ccccc34)[Cd](I)(I)[n]3c(n(Cc4cccc(Cn5c(C)[n]1c1ccccc51)c4)c1ccccc31)C)c2)I |
| Title of publication | Bis{μ-1,3-bis[(2-methyl-1<i>H</i>-benzimidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^}bis(diiodidocadmium) |
| Authors of publication | Hu, Jiyong; Liu, Junhong; Zhao, Jin'an |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1566 |
| a | 9.3968 ± 0.0019 Å |
| b | 11.286 ± 0.002 Å |
| c | 11.703 ± 0.002 Å |
| α | 87.2 ± 0.03° |
| β | 84.6 ± 0.03° |
| γ | 86.03 ± 0.03° |
| Cell volume | 1231.5 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.075 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (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 2/23/24. |
2232445.cif 2232445.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. |
2232445.cif 2232445.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232445.cif 2232445.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. | 2232445.cif 2232445.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232445.cif 2232445.hkl |
| 31104 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232445 via cif-deposit CGI script. |
2232445.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.