Crystallography Open Database

Information card for entry 7111755

Preview

Coordinates	7111755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H116 Cu4 N8 O4 P4 S8 Sn4
Calculated formula	C90 H124 Cu4 N8 O5 P4 S8 Sn4
Title of publication	Directed derivatization of organotin sulfide compounds: synthesis and self-assembly of an SnS backpack-like cage and a CuSnS ternary cluster
Authors of publication	Halvagar, Mohammad Reza; Fard, Zohreh Hassanzadeh; Dehnen, Stefanie
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4716 - 4718
a	13.875 ± 0.003 Å
b	20.617 ± 0.004 Å
c	17.955 ± 0.004 Å
α	90°
β	93.05 ± 0.03°
γ	90°
Cell volume	5128.9 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0499
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.049
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
180231 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17.	7111755.cif
96766	2014-01-29	cif/ Adding structures of 7111754, 7111755 via cif-deposit CGI script.	7111755.cif