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Information card for entry 4312796
Preview
| Coordinates | 4312796.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Cu(I)(dmp)2]BF4x0.5dmpx0.5Acetonitrile |
|---|---|
| Chemical name | bis-(2,9-dimethyl-1,10-phenanthroline)copper(I) tetrafluoroborate 0.5 dmp acetonitrile semi-solvate |
| Formula | C36 H31.5 B Cu F4 N5.5 |
| Calculated formula | C36 H31.5 B Cu F4 N5.5 |
| Title of publication | Solid-State Structure Dependence of the Molecular Distortion and Spectroscopic Properties of the Cu(I) Bis(2,9-dimethyl-1,10-phenanthroline) Ion |
| Authors of publication | Andrey Yu. Kovalevsky; Milan Gembicky; Irina V. Novozhilova; Philip Coppens |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 8794 - 8802 |
| a | 10.6765 ± 0.0003 Å |
| b | 11.3008 ± 0.0004 Å |
| c | 13.4806 ± 0.0004 Å |
| α | 96.747 ± 0.001° |
| β | 90.082 ± 0.001° |
| γ | 107.419 ± 0.001° |
| Cell volume | 1539.99 ± 0.08 Å3 |
| Cell temperature | 90 ± 1 K |
| Ambient diffraction temperature | 90 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0635 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1442 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4312796.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312796.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312796.cif |
| 11788 | 2011-02-22 | cif/4/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script. |
4312796.cif |
| 5859 | 2011-01-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4312796 via cif-deposit CGI script. |
4312796.cif |
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Users of the data should acknowledge the original authors of the
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