Crystallography Open Database

Information card for entry 4112473

Preview

Coordinates	4112473.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Mn1.5 N12 O3 W
Calculated formula	C16 H12 Mn1.5 N12 O3 W
SMILES	[W]1(C#[N][Mn]([OH2])[n]2c[n]([Mn]([OH2])[N]#C1)ccc2)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.n1cnccc1
Title of publication	Manganese(II) Octacyanotungstate(V)-Based Magnet Containing a Noncoordinated Aromatic Molecule
Authors of publication	Toshinori Kashiwagi; Shin-ichi Ohkoshi; Hidetake Seino; Yasushi Mizobe; Kazuhito Hashimoto
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5024 - 5025
a	7.247 ± 0.002 Å
b	14.983 ± 0.005 Å
c	22.489 ± 0.007 Å
α	90°
β	90.905 ± 0.003°
γ	90°
Cell volume	2441.6 ± 1.3 Å³
Cell temperature	293.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.026
Weighted residual factors for all reflections included in the refinement	0.073
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112473.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112473.cif
64864	2012-08-30	cif/ Adding structures of 4112473 via cif-deposit CGI script.	4112473.cif