Crystallography Open Database

Information card for entry 7027779

Preview

Coordinates	7027779.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2,9-dimethyl-1,10-phenanthroline)(2-cyanoguanidine)copper(I) tetrafluoroborate ether adduct (2/1)
Formula	C18 H21 B Cu F4 N6 O0.5
Calculated formula	C18 H21 B Cu F4 N6 O0.5
Title of publication	The role of π‒π stacking interactions in stabilising trigonal planar copper(I) in Cu(BF4)‒2,9-dimethyl-1,10-phenanthroline‒nitrile systems†
Authors of publication	Blake, Alexander J.; Hubberstey, Peter; Li, Wan-Sheung; Quinlan, Daniel J.; Russell, Claire E.; Sampson, Claire L.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	23
Pages of publication	4261
a	16.547 ± 0.005 Å
b	19.404 ± 0.012 Å
c	13.657 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4385 ± 3 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1335
Residual factor for significantly intense reflections	0.0741
Weighted residual factors for all reflections	0.1411
Weighted residual factors for significantly intense reflections	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.2031
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027779.cif
95780	2014-01-28	cif/ Adding structures of 7027779, 7027780, 7027781 via cif-deposit CGI script.	7027779.cif