Crystallography Open Database

Information card for entry 7042227

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Coordinates	7042227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H87 La O30 Ti6
Calculated formula	C69 H87 La 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	15.0084 ± 0.0004 Å
b	15.0084 ± 0.0004 Å
c	23.5238 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	4588.9 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	174
Hermann-Mauguin space group symbol	P -6
Hall space group symbol	P -6
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1886
Weighted residual factors for all reflections included in the refinement	0.19
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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