Crystallography Open Database

Information card for entry 4326624

Preview

Coordinates	4326624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 Mn N O5
Calculated formula	C11 H14 Mn N O5
Title of publication	Synthesis, Structural Analysis, and Magnetic Properties of Ethylmalonate-Manganese(II) Complexes
Authors of publication	Mariadel Déniz; Jorge Pasán; Jesús Ferrando-Soria; Oscar Fabelo; Laura Cañadillas-Delgado; Consuelo Yuste; Miguel Julve; Joan Cano; Catalina Ruiz-Pérez
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10765 - 10776
a	7.28 ± 0.0015 Å
b	23.943 ± 0.005 Å
c	7.614 ± 0.0015 Å
α	90°
β	90.08 ± 0.03°
γ	90°
Cell volume	1327.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0882
Residual factor for significantly intense reflections	0.087
Weighted residual factors for significantly intense reflections	0.2231
Weighted residual factors for all reflections included in the refinement	0.2258
Goodness-of-fit parameter for all reflections included in the refinement	1.263
Diffraction radiation wavelength	0.7295 Å
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.	4326624.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326624.cif
49398	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326624 via cif-deposit CGI script.	4326624.cif