Crystallography Open Database

Information card for entry 4321558

Preview

Coordinates	4321558.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu2(TBAN)(Ph3CCOO)](OTf)
Formula	C68 H60 Cu2 F3 N4 O5 S
Calculated formula	C68 H51 Cu2 F3 N4 O5 S
Title of publication	Synthesis and Characterization of Several Dicopper(I) Complexes and a Spin-Delocalized Dicopper(I,II) Mixed-Valence Complex Using a 1,8-Naphthyridine-Based Dinucleating Ligand
Authors of publication	Chuan He; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5225 - 5231
a	41.2217 ± 0.001 Å
b	13.9946 ± 0.0004 Å
c	20.7004 ± 0.0006 Å
α	90°
β	102.335 ± 0.001°
γ	90°
Cell volume	11666 ± 0.6 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	7
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	0.1031
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for significantly intense reflections	0.1558
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179318 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/15.	4321558.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321558.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321558.cif
18930	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4321558 via cif-deposit CGI script.	4321558.cif