Crystallography Open Database

Information card for entry 7246842

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Coordinates	7246842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H92 Er2 N32 O63
Calculated formula	C36 H36 Er2 N32 O62.9998
Title of publication	Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application
Authors of publication	Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	23
Pages of publication	3460 - 3471
a	25.8081 ± 0.0006 Å
b	25.8081 ± 0.0006 Å
c	31.7446 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	18311 ± 0.8 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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