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Information card for entry 8103161
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| Coordinates | 8103161.cif |
|---|
| Chemical name | Bis(<i>μ</i>~3~-iodo)-(<i>μ</i>~2~-iodo)-bis(<i>μ</i>~2~-bis(diphenylphosphine)ethane) -tri-copper(I) dimethylformamide solvate |
|---|---|
| Formula | C55 H55 Cu3 I3 N O P4 |
| Calculated formula | C55 H55 Cu3 I3 N O P4 |
| SMILES | [Cu]1234[Cu]56([I]1[Cu]([I]35)([P](CC[P]4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CC[P]6(c1ccccc1)c1ccccc1)[I]2.O=CN(C)C |
| Title of publication | Crystal structure of bis(?3-iodo)-(?2-iodo)-bis(?2-bis(diphenylphosphine)ethane)tricopper(I) — dimethylformamide (1:1), Cu3I3(C26H24P2)2 · C3H7NO |
| Authors of publication | Le-Qing Fan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 3 |
| Pages of publication | 391 |
| a | 14.567 ± 0.003 Å |
| b | 12.543 ± 0.003 Å |
| c | 31.248 ± 0.007 Å |
| α | 90° |
| β | 90.278 ± 0.004° |
| γ | 90° |
| Cell volume | 5709 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0625 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1552 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MolybdenumKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103161.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103161.cif |
| 29151 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103161 via cif-deposit CGI script. |
8103161.cif |
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Users of the data should acknowledge the original authors of the
structural data.