Crystallography Open Database

Information card for entry 4001393

Preview

Coordinates	4001393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H82.9 In5 N5 O1.45 S19 Sb6
Calculated formula	C24.82 H58.2 In5 N3.97 O1.46 S19 Sb6
Title of publication	Permeable Layers with Large Windows in [(CH3CH2CH2)2NH2]5In5Sb6S19·1.45 H2O: High Ion-Exchange Capacity, Size Discrimination, and Selectivity for Cs Ions
Authors of publication	Ding, Nan; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	16
Pages of publication	3867
a	17.638 ± 0.004 Å
b	9.4889 ± 0.0019 Å
c	26.369 ± 0.005 Å
α	90°
β	115.47 ± 0.03°
γ	90°
Cell volume	3984.3 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1547
Weighted residual factors for all reflections included in the refinement	0.1655
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001393.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001393.cif
45232	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001393 via cif-deposit CGI script.	4001393.cif