Crystallography Open Database

Information card for entry 4339123

Preview

Coordinates	4339123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Mn N5 O3
Calculated formula	C21 H17 Mn N5 O3
SMILES	[Mn]123(Oc4ccccc4C=[N]2c2ccccc2[N]3=Cc2ccccc2O1)([OH]C)N=N#N
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	7.9707 ± 0.0016 Å
b	10.064 ± 0.002 Å
c	12.057 ± 0.002 Å
α	97.65 ± 0.03°
β	91.31 ± 0.03°
γ	91.85 ± 0.03°
Cell volume	957.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0888
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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.	4339123.cif
117154	2014-06-14	cif/ Adding structures of 4339121, 4339122, 4339123 via cif-deposit CGI script.	4339123.cif