Crystallography Open Database

Information card for entry 4321556

Preview

Coordinates	4321556.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu2(TBAN)(1-Me-BzIm)2](OTf)2
Formula	C57 H54 Cl2 Cu2 F6 N8 O6 S2
Calculated formula	C57 H52 Cl2 Cu2 F6 N8 O6 S2
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	12.8261 ± 0.0005 Å
b	15.0676 ± 0.0006 Å
c	16.2679 ± 0.0006 Å
α	85.814 ± 0.001°
β	83.829 ± 0.001°
γ	69.974 ± 0.001°
Cell volume	2934.5 ± 0.2 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 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	0.0682
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1692
Goodness-of-fit parameter for all reflections included in the refinement	1.289
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.	4321556.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321556.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321556.cif
18928	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4321556 via cif-deposit CGI script.	4321556.cif