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Information card for entry 7022994
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Coordinates | 7022994.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(mu!3$-1,2-dithiolatoethane-S,S,S',S')-di(propan-2-ido) - tris(triisopropylphosphine)-tricopper(+1)-gallium(+3) |
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Chemical name | bis(μ~3~-1,2-dithiolatoethane-S,S,S',S')-di(propan-2-ido) -tris(triisopropylphosphine)-tricopper(+1)-gallium(+3) |
Formula | C37 H85 Cu3 Ga P3 S4 |
Calculated formula | C37 H85 Cu3 Ga P3 S4 |
SMILES | C1C[S]2[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]1[Ga](C(C)C)(C(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 | 13.6195 ± 0.0014 Å |
b | 14.407 ± 0.0015 Å |
c | 16.1191 ± 0.0016 Å |
α | 63.741 ± 0.007° |
β | 68.366 ± 0.008° |
γ | 68.5 ± 0.008° |
Cell volume | 2557 ± 0.5 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 | 0.0791 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0529 |
Weighted residual factors for all reflections included in the refinement | 0.059 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.825 |
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. |
7022994.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. |
7022994.cif |
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Users of the data should acknowledge the original authors of the
structural data.