Crystallography Open Database

Information card for entry 7713401

Preview

Coordinates	7713401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H44 Cl F6 Li N4 O10 P2
Calculated formula	C16 H44 Cl F6 Li N4 O10 P2
Title of publication	Transition metal complexes of cyclam with two 2,2,2-trifluoroethylphosphinate pendant arms as probes for <sup>19</sup>F magnetic resonance imaging.
Authors of publication	Koucký, Filip; Kotek, Jan; Císařová, Ivana; Havlíčková, Jana; Kubíček, Vojtěch; Hermann, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
a	9.4863 ± 0.0006 Å
b	11.7783 ± 0.0006 Å
c	13.6581 ± 0.0008 Å
α	99.947 ± 0.002°
β	90.009 ± 0.002°
γ	99.799 ± 0.002°
Cell volume	1480.5 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
284796 (current)	2023-07-05	cif/ Adding structures of 7713393, 7713394, 7713395, 7713396, 7713397, 7713398, 7713399, 7713400, 7713401, 7713402, 7713403, 7713404 via cif-deposit CGI script.	7713401.cif