Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4308825
Preview
| Coordinates | 4308825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H72 Cl2 Cu2 N12 O23 |
|---|---|
| Calculated formula | C48 H54 Cl2 Cu2 N12 O23 |
| Title of publication | Coordination Behavior toward Copper(II) and Zinc(II) Ions of Three Ligands Joining 3-Hydroxy-2-pyridinone and Polyaza Fragments |
| Authors of publication | Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Simone Lucarini; Mauro Micheloni; Paola Paoli; Patrizia Rossi; Giovanni Zappia |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3249 - 3260 |
| a | 9.127 ± 0.001 Å |
| b | 13.84 ± 0.001 Å |
| c | 24.104 ± 0.002 Å |
| α | 83.81 ± 0.002° |
| β | 79.557 ± 0.002° |
| γ | 88.682 ± 0.002° |
| Cell volume | 2976.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0702 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1913 |
| Weighted residual factors for all reflections included in the refinement | 0.195 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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. |
4308825.cif |
| 179126 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/88. |
4308825.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308825.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308825.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308825.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.