Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2312513
Preview
Coordinates | 2312513.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Bis(tetraethylammonium) bis(μ-4-hydroxybenzoato)bis(μ-4-oxidobenzoato)bis[(dioxane)copper(II)] aqua(dioxane)tetrakis(μ-4-hydroxybenzoato)dicopper(II) methanol monosolvate |
---|---|
Formula | C85 H108 Cu4 N2 O32 |
Calculated formula | C85 H108 Cu4 N2 O32 |
Title of publication | Supramolecular hydrogen-bonded networks formed from copper(II) carboxylate dimers. |
Authors of publication | Abrahams, Brendan F.; Commons, Christopher J.; Hudson, Timothy A.; Sanchez-Arlt, Robin |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 6 |
a | 12.833 ± 0.003 Å |
b | 54.548 ± 0.011 Å |
c | 12.119 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8483 ± 3 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1405 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.7108 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
292001 (current) | 2024-05-23 | cif/ Adding structures of 2312509, 2312510, 2312511, 2312512, 2312513, 2312514, 2312515, 2312516, 2312517, 2312518, 2312519, 2312520 via cif-deposit CGI script. |
2312513.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.