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Information card for entry 7211761
Preview
Coordinates | 7211761.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H70 Cu2 I N2 O3 P5 S2 |
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Calculated formula | C66 H70 Cu2 I N2 O3 P5 S2 |
SMILES | I[Cu]12[S]3[Cu]([S]=P(OC(C)C)(OC(C)C)N=C3Nc3ccccc3)([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C |
Title of publication | Copper(I) complexes with N-thiophosphorylated thioureas and phosphines with versatile structures and luminescence |
Authors of publication | Babashkina, Maria G.; Safin, Damir A.; Bolte, Michael; Klein, Axel |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 1 |
Pages of publication | 134 |
a | 13.5587 ± 0.0006 Å |
b | 17.5724 ± 0.0004 Å |
c | 27.298 ± 0.001 Å |
α | 90° |
β | 98.651 ± 0.003° |
γ | 90° |
Cell volume | 6430 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0424 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0747 |
Weighted residual factors for all reflections included in the refinement | 0.0776 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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