Crystallography Open Database

Information card for entry 7715530

Preview

Coordinates	7715530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H34 Cl F9 N3 O11 P3 Zn2
Calculated formula	C15 H33.9996 Cl F9 N3 O10.9998 P3 Zn2
Title of publication	Transition Metal Complexes of the (2,2,2-Trifluoroethyl)phosphinate NOTA Analogue as Potential Contrast Agents for 19F Magnetic Resonance Imaging
Authors of publication	Koucký, Filip; Dobrovolná, Tereza; Kotek, Jan; Cisarova, Ivana; Havlickova, Jana; Liška, Alan; Kubicek, Vojtech; Hermann, Petr
Journal of publication	Dalton Transactions
Year of publication	2024
a	14.7089 ± 0.0002 Å
b	14.7089 ± 0.0002 Å
c	14.7089 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3182.3 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	198
Hermann-Mauguin space group symbol	P 21 3
Hall space group symbol	P 2ac 2ab 3
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0673
Weighted residual factors for all reflections included in the refinement	0.0678
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290659 (current)	2024-03-27	cif/ Adding structures of 7715524, 7715525, 7715526, 7715527, 7715528, 7715529, 7715530, 7715531, 7715532, 7715533, 7715534, 7715535 via cif-deposit CGI script.	7715530.cif