Crystallography Open Database

Information card for entry 7042223

Preview

Coordinates	7042223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H87 Eu O30 Ti6
Calculated formula	C69 H84 Eu O30 Ti6
Title of publication	Synthesis, structure and paramagnetic NMR analysis of a series of lanthanide-containing [LnTi6O3(O(i)Pr)9(salicylate)6] cages.
Authors of publication	Li, Ning; García-Rodríguez, Raúl; Matthews, Peter D.; Luo, He-Kuan; Wright, Dominic S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	13
Pages of publication	4287 - 4295
a	14.9147 ± 0.0004 Å
b	22.5136 ± 0.0006 Å
c	25.099 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8427.8 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7042223.html