Crystallography Open Database

Information card for entry 4324630

Preview

Coordinates	4324630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H232 K6 N16 Ni2 O36 Sn18 Tl0.88
Calculated formula	C112 H232 K6 N16 Ni2 O36 Sn18 Tl0.8753
Title of publication	Addition of a Thallium Vertex to Empty and Centered Nine-Atom Deltahedral Zintl Ions of Germanium and Tin
Authors of publication	Daniel Rios; Miriam M. Gillett-Kunnath; Jacob D. Taylor; Allen G. Oliver; Slavi C. Sevov
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2373 - 2377
a	28.2574 ± 0.0011 Å
b	23.4554 ± 0.0009 Å
c	27.7372 ± 0.001 Å
α	90°
β	93.236 ± 0.001°
γ	90°
Cell volume	18354.6 ± 1.2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0823
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1641
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4324630.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324630.cif
42814	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324630 via cif-deposit CGI script.	4324630.cif