Crystallography Open Database

Information card for entry 7246932

Preview

Coordinates	7246932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 N2 O11 Zn2
Calculated formula	C50 H34 N2 O11 Zn2
Title of publication	From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties
Authors of publication	Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	31
Pages of publication	4435 - 4444
a	33.5391 ± 0.0018 Å
b	13.3893 ± 0.0012 Å
c	12.2796 ± 0.0006 Å
α	90°
β	98.383 ± 0.005°
γ	90°
Cell volume	5455.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.2494
Residual factor for significantly intense reflections	0.1876
Weighted residual factors for significantly intense reflections	0.4432
Weighted residual factors for all reflections included in the refinement	0.4805
Goodness-of-fit parameter for all reflections included in the refinement	1.199
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286118 (current)	2023-09-05	cif/ Updating files of 7246930, 7246931, 7246932 Original log message: Adding full bibliography for 7246930--7246932.cif.	7246932.cif
284597	2023-06-29	cif/ Adding structures of 7246930, 7246931, 7246932 via cif-deposit CGI script.	7246932.cif