Crystallography Open Database

Information card for entry 4510290

Preview

Coordinates	4510290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N4 Ni S2
Calculated formula	C16 H18 N4 Ni 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	11.1707 ± 0.0008 Å
b	39.5124 ± 0.0019 Å
c	9.133 ± 0.0007 Å
α	90°
β	115.2 ± 0.008°
γ	90°
Cell volume	3647.5 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4510290.cif
109020	2014-04-07	cif/ Adding structures of 4510290 via cif-deposit CGI script.	4510290.cif