Crystallography Open Database

Information card for entry 7135558

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Coordinates	7135558.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C194 H171 Cl12 Er4 N12 O17.5
Calculated formula	C190 H160 Cl4 Er4 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	17.4169 ± 0.0004 Å
b	28.5045 ± 0.0008 Å
c	35.6754 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	17711.4 ± 0.8 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	0.0831
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1558
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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