Crystallography Open Database

Information card for entry 7134124

Preview

Coordinates	7134124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H52 Dy F4 N3 O12
Calculated formula	C63 H51 Dy F4 N3 O12
Title of publication	Two novel lanthanide metal-organic frameworks based on tetraphenylethylene for ultra-high proton conduction.
Authors of publication	Wu, Qi; Li, Qianxi; Zou, Wenkang; Zhang, Zheyu; Zhou, Yan; Zhao, Qihua
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	9
Pages of publication	1842 - 1845
a	24.9144 ± 0.0015 Å
b	9.0765 ± 0.0006 Å
c	39.7778 ± 0.0019 Å
α	90°
β	120.096 ± 0.003°
γ	90°
Cell volume	7782.5 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1624
Weighted residual factors for all reflections included in the refinement	0.1697
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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