Crystallography Open Database

Information card for entry 4104607

Preview

Coordinates	4104607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H35 B5 F60 N5 O1.5
Calculated formula	C90 H35 B5 F60 N5 O1.5
Title of publication	Synthesis, Structure, and Bonding of Weakly Coordinating Anions Based on CN Adducts
Authors of publication	Arne Bernsdorf; Harald Brand; Robert Hellmann; Martin Köckerling; Axel Schulz; Alexander Villinger; Karsten Voss
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	8958 - 8970
a	14.916 ± 0.008 Å
b	18.504 ± 0.009 Å
c	20.187 ± 0.009 Å
α	110.387 ± 0.014°
β	105.512 ± 0.011°
γ	106.621 ± 0.015°
Cell volume	4567 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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