Crystallography Open Database

Information card for entry 4511062

Preview

Coordinates	4511062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C149.75 H111.75 Ag2 F6 N5.5 O8.25 S14 Zn
Calculated formula	C149.714 H111.714 Ag2 F6 N5.625 O8.25 S14 Zn
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	34.231 ± 0.005 Å
b	21.783 ± 0.005 Å
c	18.171 ± 0.003 Å
α	90°
β	94.452 ± 0.004°
γ	90°
Cell volume	13508 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.164
Weighted residual factors for all reflections included in the refinement	0.1716
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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.	4511062.cif
114682	2014-05-29	cif/ Adding structures of 4511061, 4511062, 4511063 via cif-deposit CGI script.	4511062.cif