Crystallography Open Database

Information card for entry 4341355

Preview

Coordinates	4341355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H78 Ag7 Ba2 I11 O13 S13
Calculated formula	C26 H78 Ag7 Ba2 I11 O13 S13
Title of publication	Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?
Authors of publication	Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	21
Pages of publication	11721 - 11731
a	16.2737 ± 0.0006 Å
b	25.412 ± 0.001 Å
c	21.1218 ± 0.0008 Å
α	90°
β	92.8 ± 0.003°
γ	90°
Cell volume	8724.4 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for all reflections	0.0886
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.0079
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179516 (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 4/34/13.	4341355.cif
126959	2014-11-12	cif/ Updating files of 4341352, 4341353, 4341354, 4341355, 4341356, 4341357, 4341358, 4341359, 4341360, 4341361, 4341362 Original log message: Adding full bibliography for 4341352--4341362.cif.	4341355.cif
125751	2014-10-23	cif/ Adding structures of 4341355 via cif-deposit CGI script.	4341355.cif