Crystallography Open Database

Information card for entry 4511063

Preview

Coordinates	4511063.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H120 Ag5 F12 N4 O22 S16
Calculated formula	C148 H120 Ag5 F12 N4 O22 S16
Title of publication	Flexible Thioether−Ag(I) Interactions for Assembling Large Organic Ligands into Crystalline Networks
Authors of publication	Huang, Guo; Tsang, Chun-Kwan; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	3
Pages of publication	1444
a	13.0479 ± 0.0009 Å
b	19.1477 ± 0.0014 Å
c	19.9355 ± 0.0014 Å
α	73.216 ± 0.001°
β	84.32 ± 0.001°
γ	73.012 ± 0.001°
Cell volume	4559.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1162
Residual factor for significantly intense reflections	0.0955
Weighted residual factors for significantly intense reflections	0.2768
Weighted residual factors for all reflections included in the refinement	0.2964
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4511063.cif
114682	2014-05-29	cif/ Adding structures of 4511061, 4511062, 4511063 via cif-deposit CGI script.	4511063.cif