Crystallography Open Database

Information card for entry 7062064

7062063 << 7062064 >> 7062065

Preview

Coordinates	7062064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H54 F24 N12 P4
Calculated formula	C62 H54 F24 N12 P4
Title of publication	Synthesis of two tetra-azolium salts and the recognition performance for guests
Authors of publication	Zhao, Zhi-Xiang; Hu, Lin-Hai; Yu, Shao-Cong; Liu, Qing-Xiang
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	46
Pages of publication	22108 - 22116
a	11.7095 ± 0.0006 Å
b	12.14 ± 0.0006 Å
c	12.8528 ± 0.0008 Å
α	74.284 ± 0.005°
β	69.199 ± 0.005°
γ	79.296 ± 0.004°
Cell volume	1635.97 ± 0.17 Å³
Cell temperature	149.7 ± 0.9 K
Ambient diffraction temperature	149.7 ± 0.9 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	0.0791
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1489
Weighted residual factors for all reflections included in the refinement	0.1654
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
280192 (current)	2023-01-06	cif/ Updating files of 7062064 Original log message: Adding full bibliography for 7062064.cif.	7062064.cif
279131	2022-11-09	cif/ Adding structures of 7062064 via cif-deposit CGI script.	7062064.cif