Crystallography Open Database

Information card for entry 4111085

Preview

Coordinates	4111085.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3,3,7,7-Tetramethyl-1,5-diselena-3,7-distannocane
Formula	C8 H20 Se2 Sn2
Calculated formula	C8 H20 Se2 Sn2
SMILES	C1[Sn](C[Se]C[Sn](C[Se]1)(C)C)(C)C
Title of publication	Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications
Authors of publication	Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	14949 - 14961
a	9.097 ± 0.002 Å
b	11.189 ± 0.003 Å
c	7.0389 ± 0.0016 Å
α	90°
β	91.984 ± 0.003°
γ	90°
Cell volume	716 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
178881 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/10.	4111085.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111085.cif
60609	2012-06-15	cif/ Adding structures of 4111085 via cif-deposit CGI script.	4111085.cif