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Information card for entry 4308899
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 B2 Cu F8 N4 O |
|---|---|
| Calculated formula | C16 H16 B2 Cu F8 N4 O |
| SMILES | [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(C)#[N][Cu]1([n]2cccc3c2c2[n]1cccc2cc3)([OH2])[N]#CC |
| Title of publication | Solution and Solid-State Variation of Cupric Phenanthroline Complexes |
| Authors of publication | Jason A. Aligo; Laura Smith; Judith L. Eglin; Laura E. Pence |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 4001 - 4007 |
| a | 8.4972 ± 0.0016 Å |
| b | 12.028 ± 0.002 Å |
| c | 10.182 ± 0.002 Å |
| α | 90° |
| β | 95.53 ± 0.004° |
| γ | 90° |
| Cell volume | 1035.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0634 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.14 |
| Weighted residual factors for all reflections included in the refinement | 0.1509 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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