Crystallography Open Database

Information card for entry 7135340

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Coordinates	7135340.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H96 Er6 F15 I3 O24
Calculated formula	C48 H96 Er6 F15.0004 I3 O24
Title of publication	Synthesis of crown ether-capped highly symmetrical fluoride-centered lanthanide clusters [Ln<sub>6</sub>F<sub>13</sub>(12-crown-4)<sub>6</sub>]I<sub>3</sub>F<sub>2</sub> (Ln = Ho, Er).
Authors of publication	Li, Yangjuan; He, Miao; Gong, Yu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
a	18.2915 ± 0.0004 Å
b	18.2915 ± 0.0004 Å
c	18.2915 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	6120 ± 0.2 Å³
Cell temperature	179.99 ± 0.1 K
Ambient diffraction temperature	179.99 ± 0.1 K
Number of distinct elements	6
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1859
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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