Crystallography Open Database

Information card for entry 4000976

Preview

Coordinates	4000976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H62 Ag B F4 S4 Si
Calculated formula	C78 H62 Ag B F4 S4 Si
Title of publication	Shape-Selective Sorption and Fluorescence Sensing of Aromatics in a Flexible Network of Tetrakis[(4-methylthiophenyl)ethynyl]silane and AgBF4
Authors of publication	Huang, Guo; Yang, Chen; Xu, Zhengtao; Wu, Haohan; Li, Jing; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	3
Pages of publication	541
a	17.6591 ± 0.0017 Å
b	17.6477 ± 0.0017 Å
c	42.628 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	13285 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1913
Weighted residual factors for all reflections included in the refinement	0.2222
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000976.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000976.cif
38858	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4000976 via cif-deposit CGI script.	4000976.cif