Crystallography Open Database

Information card for entry 4088608

Preview

Coordinates	4088608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H52 Br2 Sb2
Calculated formula	C76 H52 Br2 Sb2
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	18.23 ± 0.004 Å
b	11.474 ± 0.003 Å
c	16.73 ± 0.004 Å
α	90°
β	114.509 ± 0.003°
γ	90°
Cell volume	3184.1 ± 1.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	0.714
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
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.	4088608.cif
237699	2019-11-24	cif/ Adding structures of 4088606, 4088607, 4088608, 4088609 via cif-deposit CGI script.	4088608.cif