Crystallography Open Database

Information card for entry 4081083

Preview

Coordinates	4081083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H68 N4 O8 Sn4
Calculated formula	C28 H68 N4 O8 Sn4
SMILES	C[Sn]123([O]4CC[N]5(CC[O]6[Sn]45(C)(C)([O]3CC[N]1(CCO2)C)[O]1CC[N]2(C)CC[O]3[Sn]45(C)(C)[N](CCO4)(C)CC[O]5[Sn]6123(C)C)C)C
Title of publication	Simplicity Meets Beauty. Trapping Molecular Dimethyltin Oxide in the Novel Organotinoxo Cluster [MeN(CH2CH2O)2SnMe2.Me2SnO]3
Authors of publication	Gock, Michael; Wiedemann, Bianca; Dietz, Christina; Bai, Chenyu; Lutter, Michael; Abeyawarathan, Vinusuya; Jurkschat, Klaus
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	15
Pages of publication	4262
a	8.118 ± 0.0005 Å
b	18.8863 ± 0.0014 Å
c	13.1915 ± 0.0009 Å
α	90°
β	101.103 ± 0.006°
γ	90°
Cell volume	1984.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	0.807
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4081083.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4081083.cif
87990	2013-08-27	cif/ Adding structures of 4081083, 4081084, 4081085 via cif-deposit CGI script.	4081083.cif