Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2017821
Preview
| Coordinates | 2017821.cif |
|---|---|
| Structure factors | 2017821.hkl |
| Original IUCr paper | HTML |
| Chemical name | (μ-dithionato-1:2κ^2^O:O')-bis[2,2':6',2''-terpyridyl-κ^3^N,N',N'')\ copper(II)] monohydrate |
|---|---|
| Formula | C30 H24 Cl2 Cu2 N6 O7 S2 |
| Calculated formula | C30 H24 Cl2 Cu2 N6 O7 S2 |
| Title of publication | Crystal-to-crystal transformation upon dehydration of a copper(II) 2,2':6',2''-terpyridine complex |
| Authors of publication | Schmitt, Laurette; Labat, Gaël; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | m343 - m347 |
| a | 8.1961 ± 0.0013 Å |
| b | 8.6029 ± 0.0015 Å |
| c | 12.2566 ± 0.0019 Å |
| α | 107.927 ± 0.013° |
| β | 99.171 ± 0.013° |
| γ | 105.244 ± 0.013° |
| Cell volume | 765.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.052 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180847 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/78. |
2017821.cif 2017821.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017821.cif 2017821.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017821.cif 2017821.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. | 2017821.cif 2017821.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017821.cif 2017821.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2017821.cif 2017821.hkl |
| 4129 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017821 via cif-deposit CGI script. |
2017821.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.