Crystallography Open Database

Information card for entry 7700957

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Coordinates	7700957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H116 Cl3 La N4 O30 P4
Calculated formula	C68 H116 Cl3 La N4 O30 P4
Title of publication	Solvent-responsive cavitand lanthanum complex.
Authors of publication	Guagnini, Francesca; Pedrini, Alessandro; Swager, Timothy M.; Massera, Chiara; Dalcanale, Enrico
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	36
Pages of publication	13732 - 13739
a	14.6516 ± 0.0002 Å
b	15.3311 ± 0.0003 Å
c	20.0375 ± 0.0005 Å
α	92.916 ± 0.001°
β	95.482 ± 0.001°
γ	92.327 ± 0.001°
Cell volume	4469.86 ± 0.15 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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