Crystallography Open Database

Information card for entry 4311198

Preview

Coordinates	4311198.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 F12 Mn N3 O6
Calculated formula	C26 H20 F12 Mn N3 O6
Title of publication	Coordination Complexes of 2-(4-Quinolyl)nitronyl Nitroxide with M(hfac)2 [M = Mn(II), Co(II), and Cu(II)]: Syntheses, Crystal Structures, and Magnetic Characterization
Authors of publication	Hongmei Wang; Zhiliang Liu; Caiming Liu; Deqing Zhang; Zhengliang Lü; Hua Geng; Zhigang Shuai; Daoben Zhu
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4091 - 4098
a	10.159 ± 0.002 Å
b	11.37 ± 0.002 Å
c	15.162 ± 0.003 Å
α	68.83 ± 0.03°
β	86.69 ± 0.03°
γ	80.87 ± 0.03°
Cell volume	1612.4 ± 0.6 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	0.3617
Residual factor for significantly intense reflections	0.1057
Weighted residual factors for significantly intense reflections	0.2464
Weighted residual factors for all reflections included in the refinement	0.3144
Goodness-of-fit parameter for all reflections included in the refinement	0.69
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179150 (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 4/31/11.	4311198.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311198.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311198.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4311198.cif
2690	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311198 via cif-deposit CGI script.	4311198.cif