Crystallography Open Database

Information card for entry 4340398

Preview

Coordinates	4340398.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H57 I4 O16 Tl
Calculated formula	C24 H48 I4 O16 Tl
SMILES	I[Tl](I)([I-])I.C1OCCOCCOCCOCCOCCOC1.O.C1OCCOCCOCCOCCOCCOC1.O.O.O
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	21.379 ± 0.0018 Å
b	21.379 ± 0.0018 Å
c	21.379 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	9771.5 ± 1.4 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	0.0544
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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.	4340398.cif
119823	2014-07-09	cif/ Adding structures of 4340398 via cif-deposit CGI script.	4340398.cif