Crystallography Open Database

Information card for entry 7055938

Preview

Coordinates	7055938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H31 B F24 N2
Calculated formula	C42 H31 B F24 N2
SMILES	c1(cc(cc(c1)C(F)(F)F)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.Cn1c[n+](cc1)CCCCCC
Title of publication	Imidazolium-based ionic liquids with large weakly coordinating anions
Authors of publication	Levason, William; Pugh, David; Reid, Gillian
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	4
Pages of publication	1677
a	18.901 ± 0.009 Å
b	13.222 ± 0.007 Å
c	16.877 ± 0.009 Å
α	90°
β	97.131 ± 0.01°
γ	90°
Cell volume	4185 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1188
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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