Crystallography Open Database

Information card for entry 4343092

Preview

Coordinates	4343092.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H58 Sn2
Calculated formula	C60 H58 Sn2
SMILES	[Sn]1([Sn](c2c(cccc2c2c(C)cc(C)cc2C)c2c(cc(cc2C)C)C)c2ccc3CCc4ccc1c2c34)c1c(cccc1c1c(cc(C)cc1C)C)c1c(cc(C)cc1C)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	11.6707 ± 0.0006 Å
b	14.2909 ± 0.0008 Å
c	14.86 ± 0.0008 Å
α	104.587 ± 0.003°
β	90.852 ± 0.003°
γ	93.383 ± 0.003°
Cell volume	2393.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	4343092.cif
137708	2015-06-04	cif/ Adding structures of 4343092 via cif-deposit CGI script.	4343092.cif