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Information card for entry 2019490
Preview
| Coordinates | 2019490.cif |
|---|---|
| Structure factors | 2019490.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aquahexa-μ-chlorido-μ~4~-oxido-tris(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒hexa-μ-chlorido-μ~4~-oxido-tetrakis(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒tetrahydrofuran (2/1/4) |
|---|---|
| Formula | C56 H116 Cl18 Cu12 O19 |
| Calculated formula | C56 H116 Cl18 Cu12 O19 |
| Title of publication | The bimolecular structure of aquahexa-μ-chlorido-μ~4~-oxido-tris(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒hexa-μ-chlorido-μ~4~-oxido-tetrakis(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒tetrahydrofuran (2/1/4) |
| Authors of publication | Wheeler, Kraig A.; Helgren, Travis R.; Clayton, Jr, Thomas W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | 306 - 311 |
| a | 27.9242 ± 0.0004 Å |
| b | 31.1922 ± 0.0005 Å |
| c | 32.2596 ± 0.0005 Å |
| α | 90° |
| β | 102.987 ± 0.001° |
| γ | 90° |
| Cell volume | 27379.9 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0812 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181864 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/94. |
2019490.cif 2019490.hkl |
| 180862 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/94. |
2019490.cif 2019490.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019490.cif 2019490.hkl |
| 110640 | 2014-04-19 | cif/ hkl/ Adding structures of 2019490 via cif-deposit CGI script. |
2019490.cif 2019490.hkl |
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