Crystallography Open Database

Information card for entry 7212698

Preview

Coordinates	7212698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H93 Cl5 Cu2 N6
Calculated formula	C48 H93 Cl5 Cu2 N6
SMILES	c1n(cc[n+]1C)CCCCCCCCCCCC.c1n(cc[n+]1C)CCCCCCCCCCCC.c1n(cc[n+]1C)CCCCCCCCCCCC.Cl[Cu]([Cl-])[Cl-].Cl[Cu][Cl-]
Title of publication	Cu(i)/(ii) based catalytic ionic liquids, their metallo-laminate solid state structures and catalytic activities in oxidative methanol carbonylation
Authors of publication	Stricker, Marion; Linder, Thomas; Oelkers, Benjamin; Sundermeyer, Jörg
Journal of publication	Green Chemistry
Year of publication	2010
Journal volume	12
Journal issue	9
Pages of publication	1589
a	8.8041 ± 0.0004 Å
b	12.5714 ± 0.0005 Å
c	25.282 ± 0.0011 Å
α	89.005 ± 0.003°
β	89.757 ± 0.003°
γ	86.052 ± 0.003°
Cell volume	2791.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	0.815
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
180457 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26.	7212698.cif
93239	2014-01-12	cif/ Adding structures of 7212698, 7212699, 7212700, 7212701, 7212702 via cif-deposit CGI script.	7212698.cif