Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4503170
Preview
| Coordinates | 4503170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Cd(Gly3)2.H2O |
|---|---|
| Formula | C12 H22 Cd N6 O9 |
| Calculated formula | C12 H22 Cd N6 O9 |
| Title of publication | Covalent Metal−Peptide Framework Compounds That Extend in One and Two Dimensions |
| Authors of publication | Lee, Hyang-Yeol; Kampf, Jeffery W.; Park, Kyo Sung; Marsh, E. Neil G. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 1 |
| Pages of publication | 296 |
| a | 23.241 ± 0.008 Å |
| b | 4.73 ± 0.0016 Å |
| c | 15.601 ± 0.005 Å |
| α | 90° |
| β | 96.234 ± 0.005° |
| γ | 90° |
| Cell volume | 1704.9 ± 1 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0359 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0671 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179562 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/31. |
4503170.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503170.cif |
| 41398 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503170, 4503171, 4503172, 4503173 via cif-deposit CGI script. |
4503170.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.