Crystallography Open Database

Information card for entry 4506690

Preview

Coordinates	4506690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H12 Mn N2 O5
Calculated formula	C10 H12 Mn N2 O5
Title of publication	Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties
Authors of publication	Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	9
Pages of publication	4505
a	7.474 ± 0.0015 Å
b	21.371 ± 0.004 Å
c	7.571 ± 0.0015 Å
α	90°
β	90.12 ± 0.03°
γ	90°
Cell volume	1209.3 ± 0.4 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	0.0653
Residual factor for significantly intense reflections	0.0583
Weighted residual factors for significantly intense reflections	0.1622
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.738 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179602 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/66.	4506690.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506690.cif
71424	2013-01-19	cif/ Correcting misattributed bibliographies in the CIFs deposited yesterday by me.	4506690.cif
71416	2013-01-18	cif/ Adding structures of 4506690 via cif-deposit CGI script.	4506690.cif