Crystallography Open Database

Information card for entry 7061068

Preview

Coordinates	7061068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H108 Al Cl4 N64 O53
Calculated formula	C114 H108 Al Cl4 N64 O53
Title of publication	Selective recognition of aluminum ions using an esculetin@Q[8] host–guest supramolecular fluorescent probe
Authors of publication	Luo, Guangyan; Meng, Ye; Zhang, Lin; Li, Xiaoyue; Tao, Zhu; Zhang, Qianjun
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	1
Pages of publication	97 - 102
a	28.162 ± 0.009 Å
b	22.226 ± 0.007 Å
c	28.39 ± 0.008 Å
α	90°
β	90.21 ± 0.03°
γ	90°
Cell volume	17770 ± 9 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.1835
Residual factor for significantly intense reflections	0.1225
Weighted residual factors for significantly intense reflections	0.381
Weighted residual factors for all reflections included in the refinement	0.4208
Goodness-of-fit parameter for all reflections included in the refinement	1.421
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
272711 (current)	2022-02-04	cif/ Updating files of 7061068 Original log message: Adding full bibliography for 7061068.cif.	7061068.cif
270759	2021-11-19	cif/ Adding structures of 7061068 via cif-deposit CGI script.	7061068.cif