Crystallography Open Database

Information card for entry 4340397

Preview

Coordinates	4340397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H52 I4 O14 Tl2
Calculated formula	C24 H48 I4 O14 Tl2
Title of publication	Inorganic supramolecular host architectures: [(M@18c6)2][TlI4].2H2O, M=0.5 Tl, (NH4,NH3), (H3O,H2O).
Authors of publication	Rieger, Franziska; Mudring, Anja-V
Journal of publication	Inorganic chemistry
Year of publication	2005
Journal volume	44
Journal issue	25
Pages of publication	9340 - 9346
a	21.2281 ± 0.0013 Å
b	21.2281 ± 0.0013 Å
c	21.2281 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	9566.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	203
Hermann-Mauguin space group symbol	F d -3 :2
Hall space group symbol	-F 2uv 2vw 3
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.25
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
179506 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/03.	4340397.cif
119822	2014-07-09	cif/ Adding structures of 4340397 via cif-deposit CGI script.	4340397.cif