Crystallography Open Database

Information card for entry 4088606

Preview

Coordinates	4088606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Br Sb
Calculated formula	C32 H24 Br Sb
SMILES	[Sb](Br)(c1ccccc1)(c1ccccc1)(c1ccccc1)c1cc2ccccc2c2ccccc12
Title of publication	1-Pyrenyl- and 3-Perylenyl-antimony(V) Derivatives for the Fluorescence Turn-On Sensing of Fluoride Ions in Water at Sub-ppm Concentrations
Authors of publication	Hirai, Masato; Myahkostupov, Mykhaylo; Castellano, Felix N.; Gabbaï, François P.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	11
Pages of publication	1854
a	10.568 ± 0.002 Å
b	17.691 ± 0.003 Å
c	13.565 ± 0.003 Å
α	90°
β	101.529 ± 0.002°
γ	90°
Cell volume	2484.9 ± 0.8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
276321 (current)	2022-06-28	cif/4/08/86/ Removed the '_chemical_name_systematic' and '_chemical_name_common' data items that had incorrect values in entries 4088606-4088609.	4088606.cif
237699	2019-11-24	cif/ Adding structures of 4088606, 4088607, 4088608, 4088609 via cif-deposit CGI script.	4088606.cif