Crystallography Open Database

Information card for entry 7224197

Preview

Coordinates	7224197.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate
Chemical name	n-Ag5[C-pentyl tetramethoxy resorcinarene bis-thiacrown]2[trifluoroacetate]5 ethanol solvate hydrate
Formula	C153 H227 Ag5 F15 O32.5 S8
Calculated formula	C153 H225 Ag5 F15 O32.5 S8
Title of publication	Inverted molecular cups: 1-D and 2-D Ag(i) coordination polymers from resorcinarene bis-thiacrowns
Authors of publication	Helttunen, Kaisa; Nissinen, Maija
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	26
Pages of publication	4944
a	17.7963 ± 0.0006 Å
b	20.7997 ± 0.0006 Å
c	24.3087 ± 0.0005 Å
α	92.255 ± 0.002°
β	98.785 ± 0.002°
γ	106.258 ± 0.003°
Cell volume	8504.9 ± 0.4 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.197
Weighted residual factors for all reflections included in the refinement	0.2279
Goodness-of-fit parameter for all reflections included in the refinement	0.991
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185197 (current)	2016-08-07	cif/ Updating files of 7224194, 7224195, 7224196, 7224197 Original log message: Adding full bibliography for 7224194--7224197.cif.	7224197.cif
176368	2016-02-11	cif/ Adding structures of 7224194, 7224195, 7224196, 7224197 via cif-deposit CGI script.	7224197.cif