Crystallography Open Database

Information card for entry 4308471

Preview

Coordinates	4308471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 Cl4 Cu3 N20 O16
Calculated formula	C36 H44 Cl4 Cu3 N20 O16
Title of publication	First Example of a 2:1 Cocrystal of Mixed Cu(I)/Cu(II) Complexes and a Novel Ferromagnetic Bis(μ-hydroxo)dicopper(II) Complex with a Bis(pyrazol-1-yl)methane Bidentate Ligand
Authors of publication	Chang-Chuan Chou; Chan-Cheng Su; Hui-Lien Tsai; Kwang-Hwa Lii
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	628 - 632
a	9.3397 ± 0.0019 Å
b	12.4097 ± 0.0016 Å
c	13.2366 ± 0.0014 Å
α	93.078 ± 0.009°
β	104.314 ± 0.011°
γ	110.51 ± 0.011°
Cell volume	1375.6 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1683
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1823
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7093 Å
Diffraction radiation type	Mokα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179122 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/84.	4308471.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308471.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308471.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308471.cif