Crystallography Open Database

Information card for entry 4313619

Preview

Coordinates	4313619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 F24 Mn2 N6 O12
Calculated formula	C44 H36 F24 Mn2 N6 O12
Title of publication	Preparation and Magnetic Properties of Mn(hfac)2- Complexes of 2-(5-Pyrimidinyl)- and 2-(3-Pyridyl)-Substituted Nitronyl Nitroxides
Authors of publication	Keiji Okada; Osami Nagao; Hiroki Mori; Masatoshi Kozaki; Daisuke Shiomi; Kazunobu Sato; Takeji Takui; Yasutaka Kitagawa; Kizashi Yamaguchi
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3221 - 3228
a	14.6353 ± 0.0006 Å
b	17.019 ± 0.001 Å
c	14.42 ± 0.002 Å
α	93.93 ± 0.02°
β	117.656 ± 0.009°
γ	110.81 ± 0.01°
Cell volume	2853.2 ± 0.7 Å³
Cell temperature	123.2 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 significantly intense reflections	0.0614
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	0.88
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4313619.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313619.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313619.cif
6688	2011-01-12	../uploads/cif-deposit/cod/cif Adding structures of 4313619 via cif-deposit CGI script.	4313619.cif