Crystallography Open Database

Information card for entry 4340479

Preview

Coordinates	4340479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Mn N5 O2
Calculated formula	C28 H22 Mn N5 O2
Title of publication	Synthesis, Structures, and Magnetic Properties of End-to-End Azide-Bridged Manganese(III) Chains: Elucidation of Direct Magnetostructural Correlation.
Authors of publication	Song, Jeong Hwa; Lim, Kwang Soo; Ryu, Dae Won; Yoon, Sung Won; Suh, Byoung Jin; Hong, Chang Seop
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	7936
a	10.1192 ± 0.0013 Å
b	23.29 ± 0.003 Å
c	11.2686 ± 0.0014 Å
α	90°
β	113.551 ± 0.006°
γ	90°
Cell volume	2434.5 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0826
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179507 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/04.	4340479.cif
121180	2014-08-05	cif/ Updating files of 4340479, 4340480 Original log message: Adding full bibliography for 4340479--4340480.cif.	4340479.cif
120562	2014-07-19	cif/ Adding structures of 4340479, 4340480 via cif-deposit CGI script.	4340479.cif