Crystallography Open Database

Information card for entry 4086392

Preview

Coordinates	4086392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H80 B2 Cu2 F4 N4 O2
Calculated formula	C60 H80 B2 Cu2 F4 N4 O2
Title of publication	Bonding and Reactivity of a Dicopper(I) μ-Boryl Cation
Authors of publication	Wyss, Chelsea M.; Bitting, Jamie; Bacsa, John; Gray, Thomas G.; Sadighi, Joseph P.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	2
Pages of publication	71
a	17.2532 ± 0.0016 Å
b	22.504 ± 0.002 Å
c	18.5412 ± 0.0019 Å
α	90°
β	105.979 ± 0.002°
γ	90°
Cell volume	6920.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1273
Residual factor for significantly intense reflections	0.0719
Weighted residual factors for significantly intense reflections	0.1833
Weighted residual factors for all reflections included in the refinement	0.2174
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
175811 (current)	2016-02-04	cif/ Updating files of 4086392 Original log message: Adding full bibliography for 4086392.cif.	4086392.cif
173662	2016-01-08	cif/ Adding structures of 4086392 via cif-deposit CGI script.	4086392.cif