Crystallography Open Database

Information card for entry 7027740

Preview

Coordinates	7027740.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(acetonitrile)tris(mu-2-methylpyridazine)dicopper(I)
Formula	C9.5 H12 B Cu F4 N4
Calculated formula	C9.5 H12 B Cu F4.02 N4
Title of publication	The role of hydrogen-bonding interactions in stabilising trigonal planar copper(I) in Cu(BF4)‒pyridazine‒nitrile systems †
Authors of publication	Batsanov, Andrei S.; Begley, Michael J.; George, Michael W.; Hubberstey, Peter; Munakata, Meguma; Russell, Claire E.; Walton, Paul H.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	23
Pages of publication	4251
a	25.289 ± 0.004 Å
b	8.514 ± 0.002 Å
c	14.211 ± 0.003 Å
α	90°
β	114.31 ± 0.03°
γ	90°
Cell volume	2788.5 ± 1.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.0933
Goodness-of-fit parameter for significantly intense reflections	1.086
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
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.	7027740.cif
95693	2014-01-28	cif/ Adding structures of 7027739, 7027740, 7027741, 7027742, 7027743 via cif-deposit CGI script.	7027740.cif