Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4500895
Preview
| Coordinates | 4500895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate |
|---|---|
| Chemical name | catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate |
| Formula | C35 H45 N9 O14 S2 Zn2 |
| Calculated formula | C35 H38 N9 O14 S2 Zn2 |
| Title of publication | Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence |
| Authors of publication | Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 8 |
| Pages of publication | 3536 |
| a | 20.971 ± 0.0011 Å |
| b | 9.2303 ± 0.0005 Å |
| c | 11.4429 ± 0.0008 Å |
| α | 90° |
| β | 110.431 ± 0.007° |
| γ | 90° |
| Cell volume | 2075.6 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0486 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179539 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/08. |
4500895.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500895.cif |
| 34675 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500894, 4500895, 4500896, 4500897 via cif-deposit CGI script. |
4500895.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.