Crystallography Open Database

Information card for entry 7247799

Preview

Coordinates	7247799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H59 N7 Ni2 O23
Calculated formula	C52 H37 N7 Ni2 O12
Title of publication	Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+
Authors of publication	Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	2
Pages of publication	170 - 179
a	19.5933 ± 0.001 Å
b	22.7256 ± 0.0012 Å
c	52.888 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	23549 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
289447 (current)	2024-02-04	cif/ Updating files of 7247796, 7247797, 7247798, 7247799 Original log message: Adding full bibliography for 7247796--7247799.cif.	7247799.cif
287819	2023-11-28	cif/ Adding structures of 7247796, 7247797, 7247798, 7247799 via cif-deposit CGI script.	7247799.cif