Crystallography Open Database

Information card for entry 7027739

Preview

Coordinates	7027739.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(acetonitrile)tris(mu-pyridazine)dicopper(I) acetonitrile adduct (1/0.5)
Formula	C18 H21 B2 Cu2 F8 N9
Calculated formula	C18 H12 B2 Cu2 F8 N9
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	12.726 ± 0.001 Å
b	41.705 ± 0.004 Å
c	12.571 ± 0.001 Å
α	90°
β	113.57 ± 0.02°
γ	90°
Cell volume	6115.3 ± 1.3 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	0.0946
Weighted residual factors for significantly intense reflections	0.1008
Goodness-of-fit parameter for significantly intense reflections	1.0952
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
179983 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/77.	7027739.cif
95693	2014-01-28	cif/ Adding structures of 7027739, 7027740, 7027741, 7027742, 7027743 via cif-deposit CGI script.	7027739.cif