Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227488
Preview
| Coordinates | 2227488.cif |
|---|---|
| Structure factors | 2227488.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(3,5-dinitrobenzoato- κ<i>O</i>^1^)copper(II) tetrahydrofuran monosolvate |
|---|---|
| Formula | C28 H24 Cu N6 O14 |
| Calculated formula | C28 H24 Cu N6 O14 |
| Title of publication | Aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(3,5-dinitrobenzoato-κ<i>O</i>^1^)copper(II) tetrahydrofuran monosolvate |
| Authors of publication | Abdullah, Norbani; Mohamadin, M. I.; Safwan, A. P.; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1055 - m1056 |
| a | 19.6424 ± 0.0007 Å |
| b | 23.2687 ± 0.0008 Å |
| c | 6.5897 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3011.84 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.28 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181195 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/74. |
2227488.cif 2227488.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2227488.cif 2227488.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227488.cif 2227488.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. | 2227488.cif 2227488.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227488.cif 2227488.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227488.cif 2227488.hkl |
| 4525 | 2010-12-17 | ../uploads/cif-deposit/cod/cif Adding structures of 2227488 via cif-deposit CGI script. |
2227488.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.