Crystallography Open Database

Information card for entry 7231884

Preview

Coordinates	7231884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H25 Gd2 N4 O22
Calculated formula	C61 H25 Gd2 N O20
Title of publication	A water-stable 3D Eu-MOF based on a metallacyclodimeric secondary building unit for sensitive fluorescent detection of acetone molecules
Authors of publication	Yang, Yan; Chen, Lian; Jiang, Feilong; Wu, Mingyan; Pang, Jiandong; Wan, Xiuyan; Hong, Maochun
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	2
Pages of publication	321
a	10.604 ± 0.0003 Å
b	15.2602 ± 0.0006 Å
c	21.269 ± 0.0008 Å
α	71.882 ± 0.004°
β	79.392 ± 0.003°
γ	82.535 ± 0.003°
Cell volume	3205.4 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1066
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.2342
Weighted residual factors for all reflections included in the refinement	0.2543
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223592 (current)	2019-11-07	cif/ Updating files of 7231881, 7231882, 7231883, 7231884 Original log message: Adding full bibliography for 7231881--7231884.cif.	7231884.cif
212200	2018-11-28	cif/ Adding structures of 7231881, 7231882, 7231883, 7231884 via cif-deposit CGI script.	7231884.cif