Crystallography Open Database

Information card for entry 1512622

Preview

Coordinates	1512622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Mn N4 O3
Calculated formula	C12 H8 Mn N4 O3
Title of publication	Mixed-bridging manganese(II) and copper(II) complexes with azide and pyridylbenzoate N-oxide: Structures and magnetic properties
Authors of publication	Xiu-Mei Zhang; Wei Gao; Jie-Ping Liu; En-Qing Gao
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	311 - 316
a	8.1675 ± 0.0002 Å
b	23.4539 ± 0.0006 Å
c	6.5517 ± 0.0002 Å
α	90°
β	100.814 ± 0.001°
γ	90°
Cell volume	1232.75 ± 0.06 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512622.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512622.cif
89871	2013-11-14	cif/ Adding structures of 1512622 via cif-deposit CGI script.	1512622.cif