Crystallography Open Database

Information card for entry 7127421

Preview

Coordinates	7127421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 N2 O6
Calculated formula	C18 H16 N2 O6
SMILES	[O-]C(=O)c1cc(cc([n+]2ccc(cc2)c2ccncc2)c1)C(=O)O.O.O
Title of publication	A new photochromic Gd-MOF with photoswitchable bluish-white to greenish-yellow emission based on electron transfer.
Authors of publication	Li, Pei-Xin; Xie, Zhi-Xin; Jin, Ai-Ping; Li, Jing; Guo, Guo-Cong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	93
Pages of publication	14689 - 14692
a	8.0723 ± 0.0004 Å
b	17.6758 ± 0.0007 Å
c	11.6674 ± 0.0006 Å
α	90°
β	93.046 ± 0.005°
γ	90°
Cell volume	1662.4 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.255
Diffraction radiation probe	x-ray
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
260627 (current)	2021-01-07	cif/ Updating files of 7127420, 7127421 Original log message: Adding full bibliography for 7127420--7127421.cif.	7127421.cif
258478	2020-10-20	cif/ Adding structures of 7127420, 7127421 via cif-deposit CGI script.	7127421.cif