Crystallography Open Database

Information card for entry 7054849

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Coordinates	7054849.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H15 Cu3 F18 N6
Calculated formula	C24 H15 Cu3 F18 N6
SMILES	c1(cc(C(F)(F)F)[n]2n1[Cu][n]1c(cc(C(F)(F)F)n1[Cu][n]1c(cc(C(F)(F)F)n1[Cu]2)C(F)(F)F)C(F)(F)F)C(F)(F)F.c1(cc(cc(c1)C)C)C
Title of publication	Isolable arene sandwiched copper(i) pyrazolates
Authors of publication	Jayaratna, Naleen B.; Hettiarachchi, Champika V.; Yousufuddin, Muhammed; Rasika Dias, H. V.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	7
Pages of publication	5092
a	19.975 ± 0.002 Å
b	19.975 ± 0.002 Å
c	13.2744 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	4586.9 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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