Crystallography Open Database

Information card for entry 4321349

Preview

Coordinates	4321349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H31 Cl Cu N3 O4 S
Calculated formula	C21 H31 Cl Cu N3 O4 S
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	17.78 ± 0.02 Å
b	17.7 ± 0.01 Å
c	15.75 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	4957 ± 7 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.486
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.	4321349.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321349.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321349.cif
18714	2011-05-03	../uploads/cif-deposit/cod/cif Adding structures of 4321349 via cif-deposit CGI script.	4321349.cif