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Information card for entry 7113006
Preview
Coordinates | 7113006.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | tetrakis(triphenylphosphane-μ~3~-iodo-copper(I)) |
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Formula | C72 H60 Cu4 I4 P4 |
Calculated formula | C72 H60 Cu4 I4 P4 |
SMILES | [I]12[Cu]3([I]4[Cu]1([I]1[Cu]2([I]3[Cu]41[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Flexibility of cubane-like Cu4I4 framework: temperature dependence of molecular structure and luminescence thermochromism of [Cu4I4(PPh3)4] in two polymorphic crystalline states. |
Authors of publication | Kitagawa, Hakuba; Ozawa, Yoshiki; Toriumi, Koshiro |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 34 |
Pages of publication | 6302 - 6304 |
a | 13.423 ± 0.0003 Å |
b | 26.4422 ± 0.0005 Å |
c | 19.4442 ± 0.0003 Å |
α | 90° |
β | 99.306 ± 0.001° |
γ | 90° |
Cell volume | 6810.6 ± 0.2 Å3 |
Cell temperature | 103 ± 1 K |
Ambient diffraction temperature | 103 ± 1 K |
Number of distinct elements | 5 |
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 | 0.0399 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0473 |
Weighted residual factors for all reflections included in the refinement | 0.052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7113006.html
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Users of the data should acknowledge the original authors of the
structural data.