Crystallography Open Database

Information card for entry 1574939

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Coordinates	1574939.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	14.4843 ± 0.0004 Å
b	14.4843 ± 0.0004 Å
c	18.3887 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3857.9 ± 0.2 Å³
Cell temperature	420 K
Ambient diffraction temperature	420 K
Number of distinct elements	6
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1035
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
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.	1574939.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.	1574939.cif