Crystallography Open Database

Information card for entry 1542270

Preview

Coordinates	1542270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H15 N3 O3
Calculated formula	C16 H15 N3 O3
SMILES	O(C)C(=O)c1ccccc1NN=Nc1ccc(C(=O)C)cc1
Title of publication	Multivariate optimization, preconcentration and determination of mercury ions with (1-(p-acetyl phenyl)-3-(o-methyl benzoate)) triazene in aqueous samples using ICP-AES
Authors of publication	Amiri, Nayereh; Rofouei, Mohammad K.; Ghasemi, Jahan B.
Journal of publication	Anal. Methods
Year of publication	2016
Journal volume	8
Journal issue	5
Pages of publication	1111
a	8.0689 ± 0.0016 Å
b	13.762 ± 0.003 Å
c	14.911 ± 0.005 Å
α	90°
β	115.54 ± 0.02°
γ	90°
Cell volume	1494 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.1986
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	0.823
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
175858 (current)	2016-02-04	cif/ Updating files of 1542270 Original log message: Adding full bibliography for 1542270.cif.	1542270.cif
174450	2016-01-14	cif/ Adding structures of 1542270 via cif-deposit CGI script.	1542270.cif