Crystallography Open Database

Information card for entry 7112836

Preview

Coordinates	7112836.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	poly(bis(isoselenocyanato-N)-bis(mu2-pyrazine-N,N')- manganese(ii))
Chemical name	poly[bis(isoselenocyanato-N)-bis(μ2-pyrazine-N,N')-manganese(II)]
Formula	C10 H8 Mn N6 Se2
Calculated formula	C10 H8 Mn N6 Se2
Title of publication	Rational design of bridging selenocyanates by thermal decomposition reactions
Authors of publication	Wriedt, Mario; Näther, Christian
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4707
a	10.4442 ± 0.001 Å
b	10.5411 ± 0.0009 Å
c	7.2533 ± 0.0007 Å
α	90°
β	117.571 ± 0.007°
γ	90°
Cell volume	707.86 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.222
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112836.cif
112115	2014-04-29	cif/ Adding structures of 7112836, 7112837 via cif-deposit CGI script.	7112836.cif