Crystallography Open Database

Information card for entry 4311223

Preview

Coordinates	4311223.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Triphenylsulfonium manganese(II) tris(dicyanamide)
Formula	C24 H15 Mn N9 S
Calculated formula	C24 H15 Mn N9 S
Title of publication	Spin Canting in the 3D Anionic Dicyanamide Structure (SPh~3~)Mn(dca)~3~ (Ph = phenyl, dca = dicyanamide)
Authors of publication	John A. Schlueter; Jamie L. Manson; Kylee A. Hyzer; Urs Geiser
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	4100 - 4102
a	11.7079 ± 0.0005 Å
b	12.8554 ± 0.0005 Å
c	16.8605 ± 0.0006 Å
α	90°
β	100.666 ± 0.002°
γ	90°
Cell volume	2493.83 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0503
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179151 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/12.	4311223.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311223.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311223.cif
2718	2010-11-12	../uploads/cif-deposit/cod/cif Adding structures of 4311223 via cif-deposit CGI script.	4311223.cif