Crystallography Open Database

Information card for entry 7229874

Preview

Coordinates	7229874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H35 Cd N3 O12.5
Calculated formula	C29 H35 Cd N3 O12.5
Title of publication	Highly selective luminescence sensing for the detection of nitrobenzene and Fe3+ by new Cd(ii)-based MOFs
Authors of publication	Yan, Yang-Tian; Liu, Jiao; Yang, Guo-Ping; Zhang, Fang; Fan, Ya-Ke; Zhang, Wen-Yan; Wang, Yao-Yu
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	4
Pages of publication	477
a	16.495 ± 0.003 Å
b	10.1203 ± 0.0019 Å
c	20.613 ± 0.004 Å
α	90°
β	95.377 ± 0.004°
γ	90°
Cell volume	3425.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
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	0.1254
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2215
Weighted residual factors for all reflections included in the refinement	0.2788
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228991 (current)	2019-11-17	cif/ Updating files of 7229873, 7229874, 7229875 Original log message: Adding full bibliography for 7229873--7229875.cif.	7229874.cif
204735	2018-01-05	cif/ Adding structures of 7229873, 7229874, 7229875 via cif-deposit CGI script.	7229874.cif