Crystallography Open Database

Information card for entry 1559922

Preview

Coordinates	1559922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H50 Cl8 Hg3 N6
Calculated formula	C68 H50 Cl8 Hg3 N6
SMILES	c1([nH+]c(c(n1c1ccccc1)c1ccc(c2c(c3ccccc3)[nH+]c(n2c2ccccc2)c2c3ccccc3cc3ccccc23)cc1)c1ccccc1)c1c2ccccc2cc2ccccc12.[Cl]1[Hg](Cl)(Cl)[Cl][Hg]21[Cl][Hg]([Cl]2)(Cl)Cl.C(#N)C.C(#N)C
Title of publication	Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes
Authors of publication	Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde
Journal of publication	Industrial & Engineering Chemistry Research
Year of publication	2020
Journal volume	59
Journal issue	52
Pages of publication	22398 - 22412
a	24.931 ± 0.0005 Å
b	17.1047 ± 0.0003 Å
c	19.0875 ± 0.0004 Å
α	90°
β	118.802 ± 0.001°
γ	90°
Cell volume	7132.7 ± 0.3 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
260400 (current)	2021-01-04	cif/ Adding structures of 1559917, 1559918, 1559919, 1559920, 1559921, 1559922 via cif-deposit CGI script.	1559922.cif