Crystallography Open Database

Information card for entry 1517680

Preview

Coordinates	1517680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H36 Ag3 F9 N12 O9.5 S3
Calculated formula	C39 H36 Ag3 F9 N12 O9.5 S3
Title of publication	A macrocycle-assisted nanoparticlization process for bulk Ag2S
Authors of publication	He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	1
Pages of publication	654
a	13.528 ± 0.003 Å
b	20.05 ± 0.004 Å
c	18.26 ± 0.004 Å
α	90°
β	107.1 ± 0.03°
γ	90°
Cell volume	4733.8 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0599
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1517680.cif
130982	2015-02-04	cif/ Updating files of 1517680, 1517681, 1517682, 1517683 Original log message: Adding full bibliography for 1517680--1517683.cif.	1517680.cif
123714	2014-09-12	cif/ Adding structures of 1517680, 1517681, 1517682, 1517683 via cif-deposit CGI script.	1517680.cif