Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4333581
Preview
| Coordinates | 4333581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(μ~3~-hydroxido)- bis(1-Carboxy-3,5,7-adamantanetricarboxylato)- 1,3-bi(1,2,4-triazol-4-yl)propane aquatetracopper(II) Hydrate |
|---|---|
| Formula | C35 H42 Cu4 N6 O20 |
| Calculated formula | C35 H41 Cu4 N6 O20 |
| Title of publication | Functionalized Adamantane Tectons Used in the Design of Mixed-Ligand Copper(II) 1,2,4-Triazolyl/Carboxylate Metal-Organic Frameworks |
| Authors of publication | Ganna A. Senchyk; Andrey B. Lysenko; Harald Krautscheid; Eduard B. Rusanov; Alexander N. Chernega; Karl W. Krämer; Shi-Xia Liu; Silvio Decurtins; Konstantin V. Domasevitch |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 863 - 872 |
| a | 8.6 ± 0.0004 Å |
| b | 13.1848 ± 0.0007 Å |
| c | 18.3098 ± 0.001 Å |
| α | 97.207 ± 0.006° |
| β | 101.911 ± 0.006° |
| γ | 107.2 ± 0.006° |
| Cell volume | 1901.6 ± 0.2 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 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 | 0.0442 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
4333581.cif |
| 179438 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/35. |
4333581.cif |
| 99376 | 2014-01-31 | cif/ Adding structures of 4333581 via cif-deposit CGI script. |
4333581.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.