Crystallography Open Database

Information card for entry 7229873

Preview

Coordinates	7229873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H77 Cd4 O54.5
Calculated formula	C92 H77 Cd4 O54.5
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	14 ± 0.0012 Å
b	23.672 ± 0.002 Å
c	26.421 ± 0.002 Å
α	90°
β	92.048 ± 0.002°
γ	90°
Cell volume	8750.5 ± 1.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0447
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0985
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	7229873.cif
204735	2018-01-05	cif/ Adding structures of 7229873, 7229874, 7229875 via cif-deposit CGI script.	7229873.cif