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Information card for entry 7217646
Preview
Coordinates | 7217646.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H26 Cu F20 O4 |
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Calculated formula | C48 H26 Cu F20 O4 |
SMILES | C1(=CC(=[O][Cu]2(O1)OC(=CC(=[O]2)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(c(c(c(c1F)F)F)F)F)c1c(F)c(c(c(c1F)F)F)F.c1(cc(cc(c1)C)C)C.c1(cc(cc(c1)C)C)C |
Title of publication | Guest-adjusted encapsulation and thermal studies of non-porous mononuclear Cu(ii) coordination complexes through electrostatic interactions induced by fluorine substitution |
Authors of publication | Hori, Akiko; Nakajima, Kyosuke; Akimoto, Yuuki; Naganuma, Kohei; Yuge, Hidetaka |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 37 |
Pages of publication | 8805 |
a | 14.845 ± 0.003 Å |
b | 31.844 ± 0.007 Å |
c | 10.082 ± 0.002 Å |
α | 90° |
β | 111.011 ± 0.002° |
γ | 90° |
Cell volume | 4449.1 ± 1.6 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.036 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0785 |
Weighted residual factors for all reflections included in the refinement | 0.0822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7217646.html
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Users of the data should acknowledge the original authors of the
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