Crystallography Open Database

Information card for entry 4326642

Preview

Coordinates	4326642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 B Cu F4 N4 S
Calculated formula	C18 H22 B Cu F4 N4 S
Title of publication	Structural Variability in Ag(I) and Cu(I) Coordination Polymers with Thioether-Functionalized Bis(pyrazolyl)methane Ligands
Authors of publication	Irene Bassanetti; Luciano Marchiò
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10786 - 10797
a	10.46 ± 0.001 Å
b	17.394 ± 0.001 Å
c	11.542 ± 0.001 Å
α	90°
β	96.521 ± 0.001°
γ	90°
Cell volume	2086.4 ± 0.3 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179369 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/66.	4326642.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326642.cif
49416	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326642 via cif-deposit CGI script.	4326642.cif