Crystallography Open Database

Information card for entry 7243833

Preview

Coordinates	7243833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H74 N4 O19
Calculated formula	C86 H74 N4 O19
Title of publication	Stable hydrogen-bonded organic frameworks for selective fluorescence detection of Al3+ and Fe3+ ions
Authors of publication	Xiao, Cheng-Quan; Yi, Wen-Hai; Hu, Jun-Jie; Liu, Sui-Jun; Wen, He-Rui
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	47
Pages of publication	8334 - 8342
a	11.8376 ± 0.0005 Å
b	9.829 ± 0.0004 Å
c	31.8542 ± 0.0015 Å
α	90°
β	95.889 ± 0.002°
γ	90°
Cell volume	3686.7 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
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	0.1367
Residual factor for significantly intense reflections	0.0921
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1665
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
271834 (current)	2022-01-06	cif/ Updating files of 7243830, 7243831, 7243832, 7243833 Original log message: Adding full bibliography for 7243830--7243833.cif.	7243833.cif
270218	2021-11-03	cif/ Adding structures of 7243830, 7243831, 7243832, 7243833 via cif-deposit CGI script.	7243833.cif