Crystallography Open Database

Information card for entry 4343091

Preview

Coordinates	4343091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H68 Si Sn2
Calculated formula	C65 H68 Si Sn2
SMILES	[Sn@]12([Sn@@](c3c4c1ccc1c4c(cc3)CC1)(C=C2[Si](C)(C)C)c1c(cccc1c1c(C)cc(cc1C)C)c1c(cc(C)cc1C)C)c1c(cccc1c1c(cc(C)cc1C)C)c1c(cc(cc1C)C)C.[Sn@@]12([Sn@](c3c4c1ccc1c4c(cc3)CC1)(C=C2[Si](C)(C)C)c1c(cccc1c1c(C)cc(cc1C)C)c1c(cc(C)cc1C)C)c1c(cccc1c1c(cc(C)cc1C)C)c1c(cc(cc1C)C)C
Title of publication	Reversibility in Reactions of Linker-Bridged Distannenes with Terminal Alkynes at Ambient Temperature.
Authors of publication	Schneider, Julia; Henning, Jens; Edrich, Jessica; Schubert, Hartmut; Wesemann, Lars
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	12
Pages of publication	6020 - 6027
a	13.3712 ± 0.0004 Å
b	17.0316 ± 0.0006 Å
c	24.0193 ± 0.0008 Å
α	90°
β	99.081 ± 0.002°
γ	90°
Cell volume	5401.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0458
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
154606 (current)	2015-09-06	cif/ Updating files of 4343090, 4343091, 4343092, 4343093, 4343094, 4343095 Original log message: Adding full bibliography for 4343090--4343095.cif.	4343091.cif
137707	2015-06-04	cif/ Adding structures of 4343091 via cif-deposit CGI script.	4343091.cif