Crystallography Open Database

Information card for entry 1564125

Preview

Coordinates	1564125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N4 O2 Sn
Calculated formula	C26 H22 N4 O2 Sn
SMILES	C1C[N]2=Cc3cc(ccc3O[Sn]2(c2ccccc2)(c2ccccc2)O1)/N=N/c1cccnc1
Title of publication	Synthesis and structural characterization of diorganotin(IV) complexes with heteroditopic pyridyl-ONO′-ligands
Authors of publication	Basu Baul, Tushar S.; Addepalli, Maheswara Rao; Lyčka, Antonin; van Terwingen, Steven; Fátima C. Guedes da Silva, M.
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119892
a	9.7287 ± 0.0004 Å
b	10.4757 ± 0.0005 Å
c	12.0768 ± 0.0004 Å
α	69.493 ± 0.004°
β	85.518 ± 0.003°
γ	84.733 ± 0.003°
Cell volume	1146.55 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0447
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
267497 (current)	2021-07-13	cif/ Adding structures of 1564125 via cif-deposit CGI script.	1564125.cif