Crystallography Open Database

Information card for entry 1567277

Preview

Coordinates	1567277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.48 H22.51 F4 N3 O12.97 S Y3
Calculated formula	C47.453 H23.453 F4 N3 O12.906 S Y3
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	21.358 ± 0.01 Å
b	35.038 ± 0.016 Å
c	20.494 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	15337 ± 12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.1227
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.223
Weighted residual factors for all reflections included in the refinement	0.253
Goodness-of-fit parameter for all reflections included in the refinement	0.922
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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