Crystallography Open Database

Information card for entry 4080815

Preview

Coordinates	4080815.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dibromido-bis(1,4,7,10,13-pentaoxacyclohexadec-15-ylmethyl)-stannane
Formula	C24 H46 Br2 O10 Sn
Calculated formula	C24 H46 Br2 O10 Sn
SMILES	Br[Sn](CC1COCCOCCOCCOCCOC1)(CC1COCCOCCOCCOCCOC1)Br
Title of publication	Intramolecularly Coordinated Bis(crown ether)-Substituted Organotin Halides as Ditopic Salt Receptors
Authors of publication	Arens, Verena; Dietz, Christina; Schollmeyer, Dieter; Jurkschat, Klaus
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2775
a	16.1335 ± 0.0019 Å
b	11.5894 ± 0.0007 Å
c	16.415 ± 0.003 Å
α	90°
β	100.304 ± 0.018°
γ	90°
Cell volume	3019.7 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0505
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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
178697 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/08.	4080815.cif
87295	2013-07-14	cif/ Adding structures of 4080815, 4080816, 4080817, 4080818, 4080819, 4080820 via cif-deposit CGI script.	4080815.cif