Crystallography Open Database

Information card for entry 7245672

Preview

Coordinates	7245672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H144 Gd9 O44 S8
Calculated formula	C82 H144 Gd9 O44 S8
Title of publication	Achieving stable photoluminescence by double thiacalix[4]arene-capping: the lanthanide-oxo cluster core matters
Authors of publication	Lu, Zixiu; Wang, Shujian; Zhuo, Zhu; Li, Guo-Ling; Zhu, Haomiao; Wang, Wei; Huang, You-Gui; Hong, Maochun
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	45
Pages of publication	29151 - 29161
a	13.3613 ± 0.0004 Å
b	13.3613 ± 0.0004 Å
c	46.1864 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	8245.4 ± 0.5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c :2
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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