Crystallography Open Database

Information card for entry 4321348

Preview

Coordinates	4321348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H96 Cl4 Cu4 N12 O16 S4
Calculated formula	C72 H96 Cl4 Cu4 N12 O16 S4
Title of publication	Synthesis, Structure, and H2O2-Dependent Catalytic Functions of Disulfide-Bridged Dicopper(I) and Related Thioether-Copper(I) and Thioether-Copper(II) Complexes
Authors of publication	Takehiro Ohta; Takashi Tachiyama; Kazunari Yoshizawa; Tokio Yamabe; Takeshi Uchida; Teizo Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	4358 - 4369
a	15.165 ± 0.003 Å
b	22.185 ± 0.004 Å
c	14.989 ± 0.003 Å
α	105.76 ± 0.01°
β	90.82 ± 0.02°
γ	75.23 ± 0.01°
Cell volume	4684.7 ± 1.6 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0954
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.1254
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	2.846
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4321348.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321348.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321348.cif
18713	2011-05-03	../uploads/cif-deposit/cod/cif Adding structures of 4321348 via cif-deposit CGI script.	4321348.cif