Crystallography Open Database

Information card for entry 1574945

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Coordinates	1574945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H28 Mn2 N10 O4 Re
Calculated formula	C38 H28 Mn2 N10 O4 Re
Title of publication	A ferroelectric proton conductor with colossal polarization induced by in-plane symmetry breaking in a two-dimensional coordination polymer.
Authors of publication	Song, Yanqing; Tsuji, Yuta; Sugimoto, Kunihisa; Kikuchi, Takashi; Shi, Yuxin; Murakami, Yusuke; Hiramatsu, Kotaro; Le Ouay, Benjamin; Ohba, Masaaki; Ohtani, Ryo
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	29
Pages of publication	13413 - 13421
a	14.3963 ± 0.0003 Å
b	14.3963 ± 0.0003 Å
c	18.2533 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3783.06 ± 0.18 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.178
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301529 (current)	2025-08-06	cif/ Updating files of 1574937, 1574938, 1574939, 1574940, 1574941, 1574942, 1574943, 1574944, 1574945, 1574946, 1574947 Original log message: Adding full bibliography for 1574937--1574947.cif.	1574945.cif
300236	2025-06-27	cif/ Adding structures of 1574937, 1574938, 1574939, 1574940, 1574941, 1574942, 1574943, 1574944, 1574945, 1574946, 1574947 via cif-deposit CGI script.	1574945.cif