Crystallography Open Database

Information card for entry 7246796

Preview

Coordinates	7246796.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H13 N2 O8 P2 Zn
Calculated formula	C3 H13 N2 O8 P2 Zn
Title of publication	The proton conduction behavior of two 1D open-framework metal phosphates with similar crystal structures and different hydrogen bond networks
Authors of publication	Zhang, Kai-ming; Ji, Min-fang; Zhou, Xue-Yi; Xuan, Fang; Duan, Bo-yuan; Yuan, Yuan; Liu, Guang-xiang; Duan, Hai-bao; Zhao, Hai-rong
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	19
Pages of publication	12703 - 12711
a	5.2677 ± 0.0005 Å
b	13.3025 ± 0.0013 Å
c	14.7833 ± 0.0014 Å
α	90°
β	96.049 ± 0.001°
γ	90°
Cell volume	1030.15 ± 0.17 Å³
Cell temperature	571 ± 2 K
Ambient diffraction temperature	571 ± 2 K
Number of distinct elements	6
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	0.0366
Residual factor for significantly intense reflections	0.029
Weighted residual factors for all reflections	0.0916
Weighted residual factors for significantly intense reflections	0.0783
Goodness-of-fit parameter for all reflections	1.127
Goodness-of-fit parameter for significantly intense reflections	1.033
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
283802 (current)	2023-05-16	cif/ Adding structures of 7246793, 7246794, 7246795, 7246796 via cif-deposit CGI script.	7246796.cif