Crystallography Open Database

Information card for entry 1556529

Preview

Coordinates	1556529.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}zinc(II) perchlorate‒acetonitrile(2/3)
Formula	C24 H28.5 Cl2 N10.5 O8 P S Zn
Calculated formula	C24 H28.5 Cl2 N10.5 O8 P S Zn
Title of publication	Structural Dynamics of Spin Crossover in Iron(II) Complexes with Extended-Tripod Ligands
Authors of publication	Stock, P.; Wiedemann, D.; Petzold, H.; Horner, G.
Journal of publication	Inorganics
Year of publication	2017
Journal volume	5
Pages of publication	60
a	9.0934 ± 0.0012 Å
b	31.653 ± 0.003 Å
c	16.281 ± 0.002 Å
α	90°
β	136.39 ± 0.03°
γ	90°
Cell volume	3232.3 ± 1.9 Å³
Cell temperature	150.05 ± 0.1 K
Ambient diffraction temperature	150.05 ± 0.1 K
Number of distinct elements	8
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	0.082
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1606
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation probe	x-ray
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
245017 (current)	2019-12-12	cif/ Adding structures of 1556529 via cif-deposit CGI script.	1556529.cif