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Information card for entry 2243861
Preview
| Coordinates | 2243861.cif |
|---|---|
| Structure factors | 2243861.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Cyanido-κ^2^<i>C</i>:<i>N</i>-bis[(η^5^-cyclopentadienyl)bis(3,5,7-triazaphosphaadamantane-κ<i>P</i>)ruthenium(II)] tetrabromido(ethanol/methanol-κ<i>O</i>)nitrosylrhenate(II) |
|---|---|
| Formula | C73 H126 Br8 N28 O4 P8 Re2 Ru4 |
| Calculated formula | C73 H126 Br8 N28 O4 P8 Re2 Ru4 |
| Title of publication | Crystal structure and magnetic study of the complex salt [RuCp(PTA)~2~‒μ-CN-1κ<i>C</i>:2κ<i>N</i>‒RuCp(PTA)~2~][Re(NO)Br~4~(EtOH)~0.5~(MeOH)~0.5~] |
| Authors of publication | Pacheco, Mario; Alvarez, Natalia; Cuevas, Alicia; Romerosa, Antonio; Lloret, Francesc; Kremer, Carlos |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 7 |
| Pages of publication | 749 - 754 |
| a | 12.6027 ± 0.0004 Å |
| b | 17.7075 ± 0.0006 Å |
| c | 23.0252 ± 0.0009 Å |
| α | 90° |
| β | 101.914 ± 0.001° |
| γ | 90° |
| Cell volume | 5027.7 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0706 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1184 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266842 (current) | 2021-07-01 | cif/ hkl/ Adding structures of 2243861 via cif-deposit CGI script. |
2243861.cif 2243861.hkl |
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