Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4322311
Preview
| Coordinates | 4322311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H26 Cr Li N6 Ni O13 |
|---|---|
| Calculated formula | C36 H24 Cr Li N6 Ni O13 |
| SMILES | c12cccc[n]2[Ni]23([n]4c1cccc4)([n]1c(cccc1)c1cccc[n]21)[n]1c(cccc1)c1cccc[n]31.O1C(=O)C(O[Cr]231(OC(=O)C(=O)O2)OC(=O)C(=O)O3)=O.[Li+].O |
| Title of publication | Enantioselective Synthesis of Optically Active Polymeric Homo- and Bimetallic Oxalate-Bridged Networks [M2(ox)3]n |
| Authors of publication | Román Andrés; Michel Gruselle; Bernard Malézieux; Michel Verdaguer; Jacqueline Vaissermann |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 4637 - 4646 |
| a | 15.38 ± 0.005 Å |
| b | 15.38 ± 0.005 Å |
| c | 15.38 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3638 ± 2 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 7 |
| Space group number | 198 |
| Hermann-Mauguin space group symbol | P 21 3 |
| Hall space group symbol | P 2ac 2ab 3 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.0578 |
| Goodness-of-fit parameter for significantly intense reflections | 0.9549 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4322311.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4322311.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322311.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322311.cif |
| 20582 | 2011-06-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4322311 via cif-deposit CGI script. |
4322311.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.