Crystallography Open Database

Information card for entry 4334793

Preview

Coordinates	4334793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24.25 F6 N8 O6.12 S2 Zn
Calculated formula	C36 H24.25 F6 N8 O6.125 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	12.7973 ± 0.0004 Å
b	13.089 ± 0.0003 Å
c	22.9289 ± 0.0007 Å
α	76.931 ± 0.002°
β	86.061 ± 0.002°
γ	84.064 ± 0.002°
Cell volume	3717.07 ± 0.19 Å³
Cell temperature	180.1 K
Ambient diffraction temperature	180.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1312
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179450 (current)	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.	4334793.cif
100666	2014-02-06	cif/ Adding structures of 4334793 via cif-deposit CGI script.	4334793.cif