Crystallography Open Database

Information card for entry 1556528

Preview

Coordinates	1556528.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	{tris[1-methyl-2-(pyridin-2-ylmethylene-κN)hydrazinyl-κN^2^]phosphane sulfide}iron(II) tetrafluoroborate‒acetonitrile(2/3)
Formula	C24 H28.5 B2 F8 Fe N10.5 P S
Calculated formula	C24 H28.5 B2 F8 Fe N10.5 P S
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	11.3421 ± 0.0005 Å
b	15.3291 ± 0.0007 Å
c	36.7355 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	6387 ± 0.5 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
245016 (current)	2019-12-12	cif/ Adding structures of 1556528 via cif-deposit CGI script.	1556528.cif