Crystallography Open Database

Information card for entry 4106071

Preview

Coordinates	4106071.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Kcrypt)4[SbGe8-Ge8Sb] 3en
Formula	C78 H166 Ge16 K4 N14 O24 Sb2
Calculated formula	C78 H166 Ge16 K4 N14 O24 Sb2
Title of publication	"n-Doping" of Deltahedral Zintl Ions
Authors of publication	Miriam M. Gillett-Kunnath; Allen G. Oliver; Slavi C. Sevov
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	6560 - 6562
a	28.6545 ± 0.0018 Å
b	24.5738 ± 0.0014 Å
c	17.0791 ± 0.0011 Å
α	90°
β	95.935 ± 0.002°
γ	90°
Cell volume	11961.8 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1403
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.1826
Weighted residual factors for all reflections included in the refinement	0.2159
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106071.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106071.cif
52861	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106071 via cif-deposit CGI script.	4106071.cif