Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7012924
Preview
| Coordinates | 7012924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H6 Cu N2 O4 |
|---|---|
| Calculated formula | C6 H6 Cu N2 O4 |
| Title of publication | Cu(HCO2)2L {L = pyrazine, 4,4?-bipyridine}: employing the formate anion as a building block in three-dimensional coordination polymersElectronic supplementary information (ESI) available: Table S1, Exponents and valence shell ionization potentials. See http://www.rsc.org/suppdata/dt/b3/b302631k/ |
| Authors of publication | Manson, Jamie L.; Lecher, Jana G.; Gu, Jiyeong; Geiser, Urs; Schlueter, John A.; Henning, Robert; Wang, Xiaoping; Schultz, Arthur J.; Koo, Hyun-Joo; Whangbo, Myung-Hwan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 14 |
| Pages of publication | 2905 |
| a | 11.5799 ± 0.0011 Å |
| b | 7.6759 ± 0.0007 Å |
| c | 8.5592 ± 0.0008 Å |
| α | 90° |
| β | 90.235 ± 0.005° |
| γ | 90° |
| Cell volume | 760.79 ± 0.12 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0325 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012924.cif |
| 179833 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/29. |
7012924.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012924.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012924.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012924.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.