Crystallography Open Database

Information card for entry 7709536

Preview

Coordinates	7709536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H15 F3 N4 O2 Sn
Calculated formula	C12 H15 F3 N4 O2 Sn
SMILES	[Sn]12(F)(F)(F)OC(=O)C(n3[n]1c(cc3C)C)n1[n]2c(cc1C)C
Title of publication	p-Block metal complexes with bis(pyrazol-1-yl)acetato ligands
Authors of publication	Pflock, Stephan; Langer, Frauke; Reil, Michaela; Strinitz, Lisa; Lorenz, Rebecca; Hübner, Eike G.; Burzlaff, Nicolai
Journal of publication	Dalton Transactions
Year of publication	2022
a	8.1077 ± 0.0004 Å
b	8.4826 ± 0.0005 Å
c	11.9826 ± 0.0006 Å
α	110.06 ± 0.005°
β	98.633 ± 0.004°
γ	106.314 ± 0.005°
Cell volume	714.63 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0505
Weighted residual factors for all reflections included in the refinement	0.052
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
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
272986 (current)	2022-02-16	cif/ Adding structures of 7709535, 7709536, 7709537, 7709538, 7709539 via cif-deposit CGI script.	7709536.cif