Crystallography Open Database

Information card for entry 7232517

Preview

Coordinates	7232517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 F3 N3 O2 P
Calculated formula	C16 H17 F3 N3 O2 P
Title of publication	The (CF3C(O)NH)(C6H5CH2NH)2P(O) phosphoric triamide as a novel carrier with excellent efficiency for Cu(ii) in a liquid membrane transport system
Authors of publication	Akbari, Setareh; Khoshnood, Razieh Sanavi; Ahmadabad, Fatemeh Karimi; Pourayoubi, Mehrdad; Dušek, Michal; Shchegravina, Ekaterina S.
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	16
Pages of publication	9153
a	4.9698 ± 0.0001 Å
b	9.7925 ± 0.0003 Å
c	34.4713 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1677.61 ± 0.08 Å³
Cell temperature	119.9 ± 0.6 K
Ambient diffraction temperature	119.9 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for significantly intense reflections	1.3
Goodness-of-fit parameter for all reflections included in the refinement	1.28
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
214210 (current)	2019-03-20	cif/ Adding structures of 7232517 via cif-deposit CGI script.	7232517.cif