Crystallography Open Database

Information card for entry 4339811

Preview

Coordinates	4339811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H80 Cl4 Cu2 F6 N8 O10 S4
Calculated formula	C78 H76 Cu2 F6 N8 O10 S4
Title of publication	Tripodal bis(imidazole) thioether copper(I) complexes: mimics of the Cu(M) site of copper hydroxylase enzymes.
Authors of publication	Zhou, Lei; Powell, Douglas; Nicholas, Kenneth M.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7789 - 7799
a	14.518 ± 0.002 Å
b	18.331 ± 0.003 Å
c	17.942 ± 0.003 Å
α	90°
β	113.451 ± 0.005°
γ	90°
Cell volume	4380.5 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0952
Residual factor for significantly intense reflections	0.083
Weighted residual factors for significantly intense reflections	0.252
Weighted residual factors for all reflections included in the refinement	0.2647
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179501 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98.	4339811.cif
117558	2014-06-15	cif/ Adding structures of 4339811 via cif-deposit CGI script.	4339811.cif