Crystallography Open Database

Information card for entry 8107208

Preview

Coordinates	8107208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H116 O13 Si Sn4
Calculated formula	C103 H116 O13 Si Sn4
SMILES	[Sn](CC[Si](CC[Sn](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)(CC[Sn](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)CC[Sn](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.O1CCCC1.c1(ccccc1)C
Title of publication	The crystal structure of the co-crystal tetrakis[2-(tris(4-methoxyphenyl)stannyl)ethyl]silane – tetrahydrofuran – toluene – tetrahydrofurane (1/1/1), C103H116O13SiSn4
Authors of publication	Aksu, Yilmaz; Irran, Elisabeth; Aksu, Sevil
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2022
Journal volume	237
Journal issue	4
Pages of publication	759 - 763
a	14.8676 ± 0.0004 Å
b	17.6664 ± 0.0004 Å
c	20.8357 ± 0.0006 Å
α	106.43 ± 0.002°
β	107.192 ± 0.002°
γ	100.898 ± 0.002°
Cell volume	4787.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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
283773 (current)	2023-05-15	cif/ Adding structures of 8107208 via cif-deposit CGI script.	8107208.cif