Crystallography Open Database

Information card for entry 1573933

Preview

Coordinates	1573933.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H20 Au B F20 N4
Calculated formula	C60 H20 Au B F20 N4
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	7.6381 ± 0.0003 Å
b	27.9614 ± 0.0011 Å
c	28.9791 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6189.1 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0674
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1613
Goodness-of-fit parameter for all reflections included in the refinement	1.206
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.	1573933.cif
297768	2025-02-20	cif/ Adding structures of 1573931, 1573932, 1573933, 1573934, 1573935 via cif-deposit CGI script.	1573933.cif