Crystallography Open Database

Information card for entry 4511061

Preview

Coordinates	4511061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H45 Ag2 B2 F8 N S9
Calculated formula	C51 H45 Ag2 B2 F8 N S9
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	40.507 ± 0.003 Å
b	22.03 ± 0.0018 Å
c	22.3662 ± 0.0018 Å
α	90°
β	116.686 ± 0.002°
γ	90°
Cell volume	17833 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.067
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179657 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/10.	4511061.cif
114682	2014-05-29	cif/ Adding structures of 4511061, 4511062, 4511063 via cif-deposit CGI script.	4511061.cif