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Information card for entry 7217659
Preview
Coordinates | 7217659.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H34 Cu F12 O4 |
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Calculated formula | C48 H34 Cu F12 O4 |
SMILES | c1(cc(cc(c1C1=CC(=[O][Cu]2(O1)OC(=CC(=[O]2)c1c(F)cc(F)cc1F)c1c(cc(cc1F)F)F)c1c(F)cc(cc1F)F)F)F)F.c1c(cc(cc1C)C)C.c1c(cc(cc1C)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 | 7.0546 ± 0.0011 Å |
b | 9.8563 ± 0.0015 Å |
c | 16.396 ± 0.003 Å |
α | 73.042 ± 0.002° |
β | 88.21 ± 0.002° |
γ | 71.792 ± 0.002° |
Cell volume | 1033.6 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0333 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0734 |
Weighted residual factors for all reflections included in the refinement | 0.0763 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/7217659.html
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Users of the data should acknowledge the original authors of the
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