Crystallography Open Database

Information card for entry 4326626

Preview

Coordinates	4326626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 Mn N O5
Calculated formula	C10 H10 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	7.4309 ± 0.0006 Å
b	21.37 ± 0.005 Å
c	7.4721 ± 0.001 Å
α	90°
β	90.357 ± 0.009°
γ	90°
Cell volume	1186.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1353
Residual factor for significantly intense reflections	0.1113
Weighted residual factors for significantly intense reflections	0.2818
Weighted residual factors for all reflections included in the refinement	0.2926
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation probe	x-ray
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.	4326626.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326626.cif
49400	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326626 via cif-deposit CGI script.	4326626.cif