Crystallography Open Database

Information card for entry 7042222

Preview

Coordinates	7042222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H87 O30 Sm Ti6
Calculated formula	C69 H86.25 O30 Sm 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	14.9683 ± 0.0004 Å
b	14.9683 ± 0.0004 Å
c	23.6974 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	4598.1 ± 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	0.0398
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
195072 (current)	2017-04-05	cif/ Updating files of 7042216, 7042217, 7042218, 7042219, 7042220, 7042221, 7042222, 7042223, 7042224, 7042225, 7042226, 7042227 Original log message: Adding full bibliography for 7042216--7042227.cif.	7042222.cif
192705	2017-03-02	cif/ Adding structures of 7042216, 7042217, 7042218, 7042219, 7042220, 7042221, 7042222, 7042223, 7042224, 7042225, 7042226, 7042227 via cif-deposit CGI script.	7042222.cif