Crystallography Open Database

Information card for entry 4510288

Preview

Coordinates	4510288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Fe N6 S2
Calculated formula	C30 H36 Fe N6 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	10.3881 ± 0.0004 Å
b	16.3106 ± 0.0007 Å
c	20.1423 ± 0.0008 Å
α	91.552 ± 0.003°
β	90.799 ± 0.003°
γ	102.835 ± 0.003°
Cell volume	3325.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1201
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.1961
Weighted residual factors for all reflections included in the refinement	0.2237
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	4510288.cif
109018	2014-04-07	cif/ Adding structures of 4510288 via cif-deposit CGI script.	4510288.cif