Crystallography Open Database

Information card for entry 4339121

Preview

Coordinates	4339121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 F2 Mn N5 O2
Calculated formula	C16 H12 F2 Mn N5 O2
Title of publication	Azide-bridged one-dimensional Mn(III) polymers: effects of side group of Schiff base ligands on structure and magnetism.
Authors of publication	Yuan, Mei; Zhao, Fei; Zhang, Wen; Wang, Zhe-Ming; Gao, Song
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11235 - 11242
a	10.804 ± 0.002 Å
b	13.453 ± 0.003 Å
c	11.166 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1622.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0703
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339121.cif
117154	2014-06-14	cif/ Adding structures of 4339121, 4339122, 4339123 via cif-deposit CGI script.	4339121.cif