Crystallography Open Database

Information card for entry 4339809

Preview

Coordinates	4339809.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C85.21 H91.28 Cl2.42 Cu2 F6 N8 O10.86 S4
Calculated formula	C85.21 H91.284 Cl2.42 Cu2 F6 N8 O10.864 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	34.148 ± 0.006 Å
b	12.362 ± 0.002 Å
c	25.611 ± 0.004 Å
α	90°
β	115.373 ± 0.005°
γ	90°
Cell volume	9768 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.099
Weighted residual factors for significantly intense reflections	0.2842
Weighted residual factors for all reflections included in the refinement	0.3039
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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.	4339809.cif
117556	2014-06-15	cif/ Adding structures of 4339809 via cif-deposit CGI script.	4339809.cif