Crystallography Open Database

Information card for entry 7117253

Preview

Coordinates	7117253.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(C4O4)2@Ag24(C6H9)16(CF3COO)4.2CH3CN
Formula	C116 H150 Ag24 F12 N2 O16
Calculated formula	C116 H144 Ag24 F12 N2 O16
Title of publication	An organic anion template: a 24-nucleus silver cluster encapsulating a squarate dimer
Authors of publication	Kuan-Guan Liu; Su-Kun Chen; Yu-Mei Lin; Quan-Ming Wang
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	9896
a	23.5527 ± 0.0007 Å
b	20.9694 ± 0.0008 Å
c	29.346 ± 0.0009 Å
α	90°
β	95.231 ± 0.003°
γ	90°
Cell volume	14433.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0762
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117253.cif
137873	2015-06-04	cif/ Adding structures of 7117253 via cif-deposit CGI script.	7117253.cif