Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 1100163
1100162 << 1100163 >> 1100164Preview
|
Coordinates |
1100163.cif |
Structure parameters
| Formula | - C46 H46 N12 O6 Zn - |
| Calculated formula | - C46 H46 N12 O6 Zn - |
| Title of publication | 'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole' |
| Authors of publication | Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan |
| Journal of publication | Polyhedron |
| Year of publication | 2004 |
| Journal volume | 23 |
| Pages of publication | 1505 - 1518 |
| a | 12.9507 ± 0.0017 Å |
| b | 9.0191 ± 0.0011 Å |
| c | 22.209 ± 0.003 Å |
| α | 90° |
| β | 119.763 ± 0.006° |
| γ | 90° |
| Cell volume | 2251.9 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1162 |
| Residual factor for observed reflections | 0.0621 |
| Weighted residual factors for the observed reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for observed reflections | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |