Crystallography Open Database

Information card for entry 8107428

Preview

Coordinates	8107428.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>trans</i>-tetrakis(3-phenylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>) nickel(II)
Formula	C46 H36 N6 Ni S2
Calculated formula	C46 H36 N6 Ni S2
Title of publication	Crystal structure of trans-tetrakis(3-phenylpyridine-κN)bis(thiocyanato-κN)nickel(II), C46H36N6NiS2
Authors of publication	Ha, Kwang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	319 - 321
a	9.1007 ± 0.001 Å
b	9.8108 ± 0.001 Å
c	11.8638 ± 0.0012 Å
α	107.377 ± 0.003°
β	107.333 ± 0.003°
γ	91.254 ± 0.004°
Cell volume	957.84 ± 0.18 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0265
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
284753 (current)	2023-07-03	cif/ Adding structures of 8107428 via cif-deposit CGI script.	8107428.cif