Crystallography Open Database

Information card for entry 4079845

Preview

Coordinates	4079845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H50 Cl6 N4 O6 Se2 Sn2
Calculated formula	C38 H50 Cl6 N4 O6 Se2 Sn2
SMILES	CN(Cc1c([Sn]2(O[Se](=O)O[Sn](c3c(cccc3CN(C)C)CN(C)C)(O[Se](O2)=O)c2ccccc2)c2ccccc2)c(ccc1)CN(C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Intramolecularly Coordinated Group 14 and 15 Chalcogenites
Authors of publication	Mairychová, Barbora; Svoboda, Tomáš; Erben, Milan; Růžička, Aleš; Dostál, Libor; Jambor, Roman
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	1
Pages of publication	157
a	26.3225 ± 0.0007 Å
b	9.491 ± 0.0003 Å
c	20.1493 ± 0.0006 Å
α	90°
β	106.131 ± 0.005°
γ	90°
Cell volume	4835.6 ± 0.3 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
178687 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/98.	4079845.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079845.cif
74082	2013-02-21	cif/ Adding structures of 4079845, 4079846, 4079847, 4079848 via cif-deposit CGI script.	4079845.cif