Crystallography Open Database

Information card for entry 7047291

Preview

Coordinates	7047291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H41.25 Cl2 Eu N4 Na3 O16.125 P
Calculated formula	C15 H41 Cl2 Eu N4 Na3 O16.125 P
SMILES	C1C[N]23CC[N]45[Eu]6782([N]1(CP(=O)O6)CC[N]7(CC4)CC(=O)O8)(OC(=O)C5)([OH2])OC(=O)C3.[Na+].[Cl-].[Na+].O.O.O.O.O.O.O.O.[Na+].[Cl-]
Title of publication	Lanthanide(iii) complexes of monophosphinate/monophosphonate DOTA-analogues: effects of the substituents on the formation rate and radiolabelling yield.
Authors of publication	Procházková, Soňa; Kubíček, Vojtěch; Kotek, Jan; Vágner, Adrienn; Notni, Johannes; Hermann, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	37
Pages of publication	13006 - 13015
a	32.1447 ± 0.0005 Å
b	9.4379 ± 0.0001 Å
c	23.5537 ± 0.0004 Å
α	90°
β	121.006 ± 0.0008°
γ	90°
Cell volume	6124.66 ± 0.16 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	8
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	0.0406
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0658
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
229308 (current)	2019-11-17	cif/ Updating files of 7047290, 7047291, 7047292 Original log message: Adding full bibliography for 7047290--7047292.cif.	7047291.cif
209894	2018-08-18	cif/ Adding structures of 7047290, 7047291, 7047292 via cif-deposit CGI script.	7047291.cif