Crystallography Open Database

Information card for entry 7701329

Preview

Coordinates	7701329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H20 B11 Cu F6 N2
Calculated formula	C15 H20 B11 Cu F6 N2
Title of publication	The 12-ethynylmonocarba-closo-dodecaborate anion as a versatile ligand for Cu(I) alkyne and heterobimetallic Cu(I)/M(II) (M = Pd, Pt) alkynide complexes
Authors of publication	Jiang, Tao; Zhang, Kang; Shen, Yunjun; Hamdaoui, Mustapha; Dontha, Rakesh; Liu, Jiyong; Spingler, Bernhard; Duttwyler, Simon
Journal of publication	Dalton Transactions
Year of publication	2019
a	10.0994 ± 0.0008 Å
b	11.236 ± 0.0009 Å
c	11.732 ± 0.0009 Å
α	66.212 ± 0.007°
β	75.011 ± 0.007°
γ	89.796 ± 0.007°
Cell volume	1169.09 ± 0.18 Å³
Cell temperature	168.3 K
Ambient diffraction temperature	168.3 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	0.0674
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1142
Weighted residual factors for all reflections included in the refinement	0.1302
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219231 (current)	2019-10-10	cif/ Adding structures of 7701325, 7701326, 7701327, 7701328, 7701329, 7701330, 7701331, 7701332, 7701333, 7701334 via cif-deposit CGI script.	7701329.cif