Crystallography Open Database

Information card for entry 7036618

Preview

Coordinates	7036618.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Mn(aminopyrazine)2(N3)2]n
Formula	C8 H10 Mn N12
Calculated formula	C8 H10 Mn N12
Title of publication	Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations.
Authors of publication	Mautner, Franz A.; Berger, Christian; Scherzer, Michael; Fischer, Roland C.; Maxwell, Lindley; Ruiz, Eliseo; Vicente, Ramon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	42
Pages of publication	18632 - 18642
a	3.4751 ± 0.0005 Å
b	7.7427 ± 0.0007 Å
c	12.428 ± 0.0014 Å
α	101.48 ± 0.02°
β	96.04 ± 0.02°
γ	96.73 ± 0.02°
Cell volume	322.6 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
171267 (current)	2015-12-09	cif/ Updating files of 7036618, 7036619, 7036620 Original log message: Adding full bibliography for 7036618--7036620.cif.	7036618.cif
158264	2015-09-24	cif/ Adding structures of 7036618, 7036619, 7036620 via cif-deposit CGI script.	7036618.cif