Crystallography Open Database

Information card for entry 7103352

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Structure parameters

Formula	C44 H16 Cu4 F20
Calculated formula	C44 H16 Cu4 F20
SMILES	[c]12(c(c(c(c(c1F)F)F)F)F)[Cu]13[c]4(c(c(c(F)c(c4F)F)F)F)[Cu]451[c]1(c(c(c(c(c1F)F)F)F)F)[Cu]14[c]4(c(c(c(F)c(c4F)F)F)F)[Cu]2351.c1ccc2c(c1)cccc2.c1cc2c(cc1)cccc2
Title of publication	Binary stacks of [CuC6F5]4 with arenes.
Authors of publication	Doshi, Ami; Venkatasubbaiah, Krishnan; Rheingold, Arnold L; Jäkle, Frieder
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	36
Pages of publication	4264 - 4266
a	11.766 ± 0.0005 Å
b	6.426 ± 0.0003 Å
c	26.2579 ± 0.001 Å
α	90°
β	102.934 ± 0.001°
γ	90°
Cell volume	1934.94 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0424
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.236
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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