Crystallography Open Database

Information card for entry 7006351

Preview

Coordinates	7006351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H40 Cl4 Cu F12 N4 O8 S2
Calculated formula	C62 H40 Cl4 Cu F12 N4 O8 S2
Title of publication	Syntheses and magnetic properties of Cu(II)(hfac)2 and Mn(II)(hfac)2 complexes of 4-pyridyl-substituted thioaminyl radicals.
Authors of publication	Miura, Yozo; Kato, Ikumi; Teki, Yoshio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	7
Pages of publication	961 - 966
a	8.786 ± 0.006 Å
b	9.362 ± 0.006 Å
c	19.669 ± 0.015 Å
α	80.087 ± 0.016°
β	88.99 ± 0.02°
γ	80.506 ± 0.019°
Cell volume	1571.8 ± 1.9 Å³
Cell temperature	223 ± 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	0.1295
Residual factor for significantly intense reflections	0.0998
Weighted residual factors for significantly intense reflections	0.1636
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.186
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179767 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/63.	7006351.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006351.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006351.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006351.cif