Crystallography Open Database

Information card for entry 7135556

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Coordinates	7135556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C195 H173 Cl14 Dy4 N12 O17.5
Calculated formula	C191 H162 Cl6 Dy4 N12 O16
Title of publication	Chiral biphenanthrene-diol-based lanthanide cubanes.
Authors of publication	Qin, Haowei; Wang, Tingting; Feng, Tingting; Zhu, Zhenhua; Ying, Xu; Zhang, Peng; Tang, Jinkui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2026
Journal volume	62
Journal issue	24
Pages of publication	6591 - 6595
a	17.7008 ± 0.0006 Å
b	28.3765 ± 0.0012 Å
c	36.0385 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	18101.7 ± 1.2 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1018
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1218
Weighted residual factors for all reflections included in the refinement	0.1421
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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