Crystallography Open Database

Information card for entry 7248040

Preview

Coordinates	7248040.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H8 Cu F N O4
Calculated formula	C9 H8 Cu F N O4
SMILES	[Cu]12([N](=Cc3c(O2)ccc(F)c3)CC(=O)O1)[OH2]
Title of publication	Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties
Authors of publication	Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	11
Pages of publication	1540 - 1549
a	7.1182 ± 0.0012 Å
b	22.582 ± 0.004 Å
c	5.9936 ± 0.001 Å
α	90°
β	103.469 ± 0.005°
γ	90°
Cell volume	936.9 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
290898 (current)	2024-04-05	cif/ Updating files of 7248040, 7248041, 7248042 Original log message: Adding full bibliography for 7248040--7248042.cif.	7248040.cif
289177	2024-01-21	cif/ Adding structures of 7248040, 7248041, 7248042 via cif-deposit CGI script.	7248040.cif