Crystallography Open Database

Information card for entry 1573931

Preview

Coordinates	1573931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H37.5 Au B F20 N4.5
Calculated formula	C69 H37.5 Au B F20 N4.5
Title of publication	Electrically conductive charge-segregated pseudo-polymorphs comprising highly planar expanded π-electronic cations.
Authors of publication	Haketa, Yohei; Nakajima, Ryoya; Maruyama, Yuto; Tanaka, Hiroki; Choi, Wookjin; Seki, Shu; Sato, Shunsuke; Baba, Hitomi; Ishii, Yoshiki; Watanabe, Go; Bulgarevich, Kirill; Takimiya, Kazuo; Deguchi, Kenzo; Ohki, Shinobu; Hashi, Kenjiro; Nakanishi, Takashi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Ohta, Kazuchika; Maeda, Hiromitsu
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	12
Pages of publication	4998 - 5006
a	29.74 ± 0.004 Å
b	16.255 ± 0.002 Å
c	24.079 ± 0.004 Å
α	90°
β	98.901 ± 0.006°
γ	90°
Cell volume	11500 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0882
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
298818 (current)	2025-04-05	cif/ Updating files of 1573931, 1573932, 1573933, 1573934, 1573935 Original log message: Adding full bibliography for 1573931--1573935.cif.	1573931.cif
297768	2025-02-20	cif/ Adding structures of 1573931, 1573932, 1573933, 1573934, 1573935 via cif-deposit CGI script.	1573931.cif