Crystallography Open Database

Information card for entry 7220277

7220276 << 7220277 >> 7220278

Preview

Coordinates	7220277.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate
Chemical name	silver C-methyl tetramethoxy resorcinarene bis-crown-5 trifluoromethanesulfonate ethanol solvate hydrate
Formula	C54 H76 Ag F3 O20 S
Calculated formula	C54.5 H74 Ag F3 O20 S
Title of publication	Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5
Authors of publication	Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	19
Pages of publication	3667
a	21.0806 ± 0.0005 Å
b	37.7868 ± 0.0008 Å
c	14.1827 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	11297.5 ± 0.4 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.01 ± 0.1 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.2543
Weighted residual factors for all reflections included in the refinement	0.2731
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
138556 (current)	2015-06-07	cif/ Updating files of 7220270, 7220271, 7220272, 7220273, 7220274, 7220275, 7220276, 7220277, 7220278, 7220279 Original log message: Adding full bibliography for 7220270--7220279.cif.	7220277.cif
135815	2015-05-09	cif/ Adding structures of 7220270, 7220271, 7220272, 7220273, 7220274, 7220275, 7220276, 7220277, 7220278, 7220279 via cif-deposit CGI script.	7220277.cif