Crystallography Open Database

Information card for entry 4326631

Preview

Coordinates	4326631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 Br2 Mn N5 O2
Calculated formula	C19 H18 Br2 Mn N5 O2
Title of publication	End-to-End Azide-Bridged Manganese(III) Chain Compounds: Field-Induced Magnetic Phase Transitions and Variation of TC to 38 K Depending on the Side Groups of the Schiff Bases
Authors of publication	Jung Hee Yoon; Woo Ram Lee; Dae Won Ryu; Jin Wuk Lee; Sung Won Yoon; Byoung Jin Suh; Hyoung Chan Kim; Chang Seop Hong
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10777 - 10785
a	12.6256 ± 0.0015 Å
b	12.8577 ± 0.0016 Å
c	12.4425 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	2019.9 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2027
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	0.885
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
179369 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/66.	4326631.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326631.cif
49405	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326631 via cif-deposit CGI script.	4326631.cif