Crystallography Open Database

Information card for entry 7714003

Preview

Coordinates	7714003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 N2 O10
Calculated formula	C21 H13 N O10
SMILES	c1cc(nc(c1)Oc1cc(cc(c1)C(=O)O)C(=O)O)Oc1cc(cc(c1)C(=O)O)C(=O)O
Title of publication	U-type π-conjugated phosphorescent ligand sensitized lanthanide metal–organic frameworks for efficient white-light-emitting diode
Authors of publication	Chen, Ying-Jun; Dou, Chang-Xun; Yin, Pei-Pei; Chen, Jun-Ting; Yang, Xiao-Gang; Li, Bo; Ma, Lufang; Wang, Liya
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.1733 ± 0.001 Å
b	21.389 ± 0.002 Å
c	16.5014 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4649.5 ± 0.6 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1238
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2146
Weighted residual factors for all reflections included in the refinement	0.2473
Goodness-of-fit parameter for all reflections included in the refinement	1.0551
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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