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CIF Information Card
Information card for 7205826
7205825 << 7205826 >> 7205827Preview
|
Coordinates |
7205826.cif |
Structure parameters
| Formula | - C42 H54 Cl4 Cu2 N14 O6 - |
| Calculated formula | - C42 H54 Cl4 Cu2 N14 O6 - |
| Title of publication | Metallomacrocycle or coordination polymer: Spacer-directed self-assembly of transition-metal complexes based on flexible bis(benzotriazole) ligands |
| Authors of publication | Tang, Xiao-Liang; Dou, Wei; Zhou, Ji-an; Zhang, Guo-Lin; Liu, Wei-Sheng; Yang, Li-Zi; Shao, Yong-Liang |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 8 |
| Pages of publication | 2890 |
| a | 35.704 ± 0.006 Å |
| b | 33.36 ± 0.005 Å |
| c | 8.2196 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9790 ± 3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P b c a |
| Hall symmetry space group | -P 2ac 2ab |
| Residual factor for all reflections | 0.1938 |
| Residual factor for observed reflections | 0.0916 |
| Weighted residual factors for the observed reflections | 0.1546 |
| Weighted residual factors for all reflections included in the refinement | 0.19 |
| Goodness-of-fit parameter for observed reflections | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |