Crystallography Open Database

Information card for entry 4334792

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Structure parameters

Formula	C23 H20 F6 N4 O7 S2 Zn
Calculated formula	C23 H20 F6 N4 O7 S2 Zn
Title of publication	A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations
Authors of publication	Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5570 - 5580
a	10.0614 ± 0.0001 Å
b	15.272 ± 0.0002 Å
c	19.2585 ± 0.0003 Å
α	90°
β	114.15 ± 0.001°
γ	90°
Cell volume	2700.22 ± 0.06 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1604
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334792.cif
179450	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/47.	4334792.cif
100665	2014-02-06	cif/ Adding structures of 4334792 via cif-deposit CGI script.	4334792.cif