Crystallography Open Database

Information card for entry 7232022

7232021 << 7232022 >> 7232023

Preview

Coordinates	7232022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H62.67 Cl1.33 P2
Calculated formula	C136.833 H39.996 P1.33333
Title of publication	Fullerene and endometallofullerene Kagome lattices with symmetry-forced spin frustration.
Authors of publication	Konarev, Dmitri V.; Khasanov, Salavat S.; Shimizu, Yasuhiro; Kuzmin, Alexey V.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2019
Journal volume	21
Journal issue	4
Pages of publication	1645 - 1649
a	19.7234 ± 0.001 Å
b	19.7234 ± 0.001 Å
c	20.1242 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	6779.7 ± 0.8 Å³
Cell temperature	50 ± 2 K
Ambient diffraction temperature	50 ± 0.4 K
Number of distinct elements	4
Space group number	157
Hermann-Mauguin space group symbol	P 3 1 m
Hall space group symbol	P 3 -2
Residual factor for all reflections	0.2053
Residual factor for significantly intense reflections	0.1587
Weighted residual factors for significantly intense reflections	0.4081
Weighted residual factors for all reflections included in the refinement	0.4516
Goodness-of-fit parameter for all reflections included in the refinement	1.727
Diffraction radiation probe	x-ray
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
225325 (current)	2019-11-08	cif/ Updating files of 7232021, 7232022 Original log message: Adding full bibliography for 7232021--7232022.cif.	7232022.cif
212633	2018-12-18	cif/ Adding structures of 7232022 via cif-deposit CGI script.	7232022.cif