Crystallography Open Database

Information card for entry 1567276

Preview

Coordinates	1567276.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C232 H122 F16 N20 O48 S5 Y12
Calculated formula	C232 H122 F16 N20 O48 S5 Y12
Title of publication	Amino group induced structural diversity and near-infrared emission of yttrium-tetracarboxylate frameworks
Authors of publication	Xia, Hai-Lun; Zhou, Kang; Guo, Jiandong; Zhang, Jian; Huang, Xiaoxi; Luo, Dawei; Liu, Xiao-Yuan; Li, Jing
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	32
Pages of publication	9321 - 9328
a	40.568 ± 0.002 Å
b	41.959 ± 0.002 Å
c	19.6114 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	33382 ± 3 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	7
Space group number	65
Hermann-Mauguin space group symbol	C m m m
Hall space group symbol	-C 2 2
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1711
Weighted residual factors for all reflections included in the refinement	0.1807
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
277650 (current)	2022-09-06	cif/ Updating files of 1567276, 1567277 Original log message: Adding full bibliography for 1567276--1567277.cif.	1567276.cif
276797	2022-07-23	cif/ Adding structures of 1567276, 1567277 via cif-deposit CGI script.	1567276.cif