Crystallography Open Database

Information card for entry 7246931

Preview

Coordinates	7246931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 Mn N4 O4
Calculated formula	C28 H16 Mn N4 O4
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	11.4539 ± 0.0013 Å
b	25.379 ± 0.002 Å
c	10.1811 ± 0.0007 Å
α	90°
β	99.143 ± 0.009°
γ	90°
Cell volume	2921.9 ± 0.5 Å³
Cell temperature	104 ± 6 K
Ambient diffraction temperature	104 ± 6 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	0.1517
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.1925
Weighted residual factors for all reflections included in the refinement	0.2189
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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.	7246931.cif
284597	2023-06-29	cif/ Adding structures of 7246930, 7246931, 7246932 via cif-deposit CGI script.	7246931.cif