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Information card for entry 2011991
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| Coordinates | 2011991.cif |
|---|---|
| Structure factors | 2011991.hkl |
| Original IUCr paper | HTML |
| Chemical name | tetrakis(ν-benzoato)bis(acetonitrile)dicopper(II) 1.5 acetonitrile solvat |
|---|---|
| Formula | C35 H30.5 Cu2 N3.5 O8 |
| Calculated formula | C70 H61 Cu4 N7 O16 |
| Title of publication | Two dimeric Cu^II^ benzoate derivatives solvated with acetonitrile |
| Authors of publication | Lah, Nina; Giester, Gerald; Šegedin, Primož; Murn, Anica; Podlipnik, Katja; Leban, Ivan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | 546 - 548 |
| a | 9.875 ± 0.001 Å |
| b | 10.707 ± 0.001 Å |
| c | 18.046 ± 0.002 Å |
| α | 75.86 ± 0.01° |
| β | 79.69 ± 0.01° |
| γ | 68.28 ± 0.01° |
| Cell volume | 1710.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0299 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for all reflections included in the refinement | 0.0794 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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