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Information card for entry 7022992
Preview
| Coordinates | 7022992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-dimethanido - tris(triisopropylphosphine)-tricopper(+1)-gallium(+3) |
|---|---|
| Chemical name | bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-dimethanido -tris(triisopropylphosphine)-tricopper(+1)-gallium(+3) |
| Formula | C33 H77 Cu3 Ga P3 S4 |
| Calculated formula | C33 H77 Cu3 Ga P3 S4 |
| SMILES | C1C[S]2[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]1[Ga](C)(C)[S]1CC[S]([Cu]2[P](C(C)C)(C(C)C)C(C)C)[Cu]1[P](C(C)C)(C(C)C)C(C)C |
| Title of publication | Tetranuclear organometallic complexes based on 1,2-ethanedithiolate ligands as potential precursors for CuMS2 (M = Ga, In). |
| Authors of publication | Friedrich, Dirk; Kluge, Oliver; Kischel, Marcus; Krautscheid, Harald |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 26 |
| Pages of publication | 9613 - 9620 |
| a | 13.5596 ± 0.001 Å |
| b | 13.773 ± 0.0011 Å |
| c | 15.3803 ± 0.0012 Å |
| α | 112.901 ± 0.006° |
| β | 94.918 ± 0.006° |
| γ | 112.31 ± 0.006° |
| Cell volume | 2354.3 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.0536 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179934 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/29. |
7022992.cif |
| 90404 | 2013-11-17 | cif/ Adding structures of 7022992, 7022993, 7022994, 7022995, 7022996, 7022997, 7022998, 7022999, 7023000, 7023001, 7023002, 7023003, 7023004, 7023005 via cif-deposit CGI script. |
7022992.cif |
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Users of the data should acknowledge the original authors of the
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