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Information card for entry 7217651
Preview
Coordinates | 7217651.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H18 Cu F16 O4 |
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Calculated formula | C42 H18 Cu F16 O4 |
SMILES | c1(c(c(F)c(cc1F)F)C1=[O][Cu]2(OC(=C1)c1c(F)c(F)cc(F)c1F)OC(=CC(=[O]2)c1c(F)c(F)cc(F)c1F)c1c(c(cc(c1F)F)F)F)F.c1ccccc1.c1ccccc1 |
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 | 8.8327 ± 0.0004 Å |
b | 20.6413 ± 0.001 Å |
c | 10.515 ± 0.0005 Å |
α | 90° |
β | 106.655 ± 0.001° |
γ | 90° |
Cell volume | 1836.65 ± 0.15 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
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 | 0.0299 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0716 |
Weighted residual factors for all reflections included in the refinement | 0.0731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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