Crystallography Open Database

Information card for entry 4311707

Preview

Coordinates	4311707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.33 H39.33 Cl4 Cu2 N6 O8.33
Calculated formula	C39 H38 Cl4 Cu2 N6 O8.51
Title of publication	Binuclear Copper(II) Oxidation Products from Copper(I) Complexes with Tridentate Ligands. Magnetostructural Characterization
Authors of publication	Darío Rojas; Ana María García; Andrés Vega; Yanko Moreno; Diego Venegas-Yazigi; María Teresa Garland; Jorge Manzur
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6324 - 6330
a	27.9006 ± 0.0019 Å
b	27.9006 ± 0.0019 Å
c	14.4587 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	9747.4 ± 1.2 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0513
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
179156 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/17.	4311707.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311707.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311707.cif
3206	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311707 via cif-deposit CGI script.	4311707.cif