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CIF Information Card
Information card for 7015471
7015470 << 7015471 >> 7015472Preview
|
Coordinates |
7015471.cif |
Structure parameters
| Formula | - C80 H70 Co3 N20 O11 - |
| Calculated formula | - C80 H50 Co3 N20 O11 - |
| Title of publication | The low spin Co(II) fragment with homoleptic 1,10-phenanthroline ligands: synthesis, structures, DFT investigations, and magnetic properties. |
| Authors of publication | Li, Bo; Zhang, Jingping; Yong, Xue; Li, Wenliang; Zheng, Yiying |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 17 |
| Pages of publication | 4459 - 4464 |
| a | 12.17 ± 0.0008 Å |
| b | 16.4977 ± 0.0011 Å |
| c | 20.0795 ± 0.0012 Å |
| α | 94.498 ± 0.001° |
| β | 93.493 ± 0.001° |
| γ | 106.921 ± 0.001° |
| Cell volume | 3830.2 ± 0.4 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1304 |
| Residual factor for observed reflections | 0.0676 |
| Weighted residual factors for the observed reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1588 |
| Goodness-of-fit parameter for observed reflections | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |