Crystallography Open Database

Information card for entry 7245671

Preview

Coordinates	7245671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H129 Cl2 N4 O18 S8 Tb4
Calculated formula	C96 H129 Cl2 N4 O18 S8 Tb4
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	12.2571 ± 0.0003 Å
b	20.9533 ± 0.0005 Å
c	22.9088 ± 0.0006 Å
α	69.3 ± 0.001°
β	83 ± 0.001°
γ	86.582 ± 0.001°
Cell volume	5461.9 ± 0.2 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.177
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278560 (current)	2022-10-13	cif/ Adding structures of 7245669, 7245670, 7245671, 7245672, 7245673 via cif-deposit CGI script.	7245671.cif