Crystallography Open Database

Information card for entry 1573934

Preview

Coordinates	1573934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H54 Au B F24 N6
Calculated formula	C80 H54 Au B F24 N6
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	35.803 ± 0.006 Å
b	21.342 ± 0.004 Å
c	20.798 ± 0.003 Å
α	90°
β	116.122 ± 0.004°
γ	90°
Cell volume	14269 ± 4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
298818 (current)	2025-04-05	cif/ Updating files of 1573931, 1573932, 1573933, 1573934, 1573935 Original log message: Adding full bibliography for 1573931--1573935.cif.	1573934.cif
297768	2025-02-20	cif/ Adding structures of 1573931, 1573932, 1573933, 1573934, 1573935 via cif-deposit CGI script.	1573934.cif