Crystallography Open Database

Information card for entry 7037992

Preview

Coordinates	7037992.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cesium Fluoride complex of Vasarene [4]
Formula	C26 H20 Cs F O9
Calculated formula	C26 H20 Cs F O9
Title of publication	Selective recognition of fluoride salts by vasarenes: a key role of a self-assembled in situ dimeric entity via an exceptionally short [O-H-O](-) H-bond.
Authors of publication	Bengiat, R.; Gil, M.; Klein, A.; Bogoslavsky, B.; Cohen, S.; Dubnikova, F.; Yardeni, G.; Zilbermann, I.; Almog, J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	21
Pages of publication	8734 - 8739
a	12.2617 ± 0.0009 Å
b	15.379 ± 0.001 Å
c	25.646 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4836.1 ± 0.6 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	5
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	0.0269
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
185445 (current)	2016-08-07	cif/ Updating files of 7037990, 7037991, 7037992, 7037993, 7037994, 7037995 Original log message: Adding full bibliography for 7037990--7037995.cif.	7037992.cif
174485	2016-01-15	cif/ Adding structures of 7037990, 7037991, 7037992, 7037993, 7037994, 7037995 via cif-deposit CGI script.	7037992.cif