Crystallography Open Database

Information card for entry 4085995

Preview

Coordinates	4085995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H68 N8 S10 Sn6
Calculated formula	C52 H68 N8 S10 Sn6
Title of publication	Functionalization of Sn/S Clusters with Hetero- and Polyaromatics
Authors of publication	Leusmann, Eliza; Schneck, Felix; Dehnen, Stefanie
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	13
Pages of publication	3264
a	10.7206 ± 0.0005 Å
b	12.9145 ± 0.0006 Å
c	13.928 ± 0.0007 Å
α	100.816 ± 0.002°
β	110.245 ± 0.002°
γ	91.817 ± 0.002°
Cell volume	1767.28 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.01 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	0.1038
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
152888 (current)	2015-08-05	cif/ Updating files of 4085995, 4085996, 4085997, 4085998 Original log message: Adding full bibliography for 4085995--4085998.cif.	4085995.cif
139784	2015-06-30	cif/ Adding structures of 4085995 via cif-deposit CGI script.	4085995.cif