Crystallography Open Database

Information card for entry 1564127

Preview

Coordinates	1564127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H68 N8 O4 Sn2
Calculated formula	C48 H68 N8 O4 Sn2
SMILES	C1c2c(ccc(/N=N/c3cnccc3)c2)[O][Sn]23([N]=1[C@@H](C[O]2[Sn]12([N]([C@H](C[O]31)CC)=Cc1c(ccc(/N=N/c3cnccc3)c1)[O]2)(CCCC)CCCC)CC)(CCCC)CCCC
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	9.834 ± 0.003 Å
b	11.509 ± 0.003 Å
c	12.396 ± 0.003 Å
α	104.527 ± 0.004°
β	108.128 ± 0.004°
γ	101.653 ± 0.004°
Cell volume	1229.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0466
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
267499 (current)	2021-07-13	cif/ Adding structures of 1564127 via cif-deposit CGI script.	1564127.cif