Crystallography Open Database

Information card for entry 4510293

Preview

Coordinates	4510293.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Mn N4 O2 S2
Calculated formula	C16 H22 Mn N4 O2 S2
Title of publication	Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds
Authors of publication	Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1902
a	11.0253 ± 0.0007 Å
b	12.8112 ± 0.0007 Å
c	7.6416 ± 0.0005 Å
α	90°
β	107.476 ± 0.007°
γ	90°
Cell volume	1029.54 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0523
Residual factor for significantly intense reflections	0.0426
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179649 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02.	4510293.cif
109023	2014-04-07	cif/ Adding structures of 4510293 via cif-deposit CGI script.	4510293.cif