Crystallography Open Database

Information card for entry 4339810

Preview

Coordinates	4339810.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H108 Cu2 F12 N12 O9 P2 S2
Calculated formula	C90 H108 Cu2 F12 N12 O9 P2 S2
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	9.702 ± 0.0012 Å
b	15.521 ± 0.002 Å
c	15.775 ± 0.002 Å
α	83.976 ± 0.005°
β	79.171 ± 0.005°
γ	81.07 ± 0.005°
Cell volume	2297.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	4339810.cif
117557	2014-06-15	cif/ Adding structures of 4339810 via cif-deposit CGI script.	4339810.cif