Crystallography Open Database

Information card for entry 7127230

Preview

Coordinates	7127230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H35 N6 O0.5 Tb0.5
Calculated formula	C66 H35 N6 O0.5 Tb0.5
Title of publication	Cocrystals of Li<sup>+</sup> encapsulated fullerenes and Tb(iii) double-decker single molecule magnet in a quasi-kagome lattice.
Authors of publication	Iwami, Hikaru; Xing, Junfei; Nakanishi, Ryo; Horii, Yoji; Katoh, Keiichi; Breedlove, Brian K.; Kawachi, Kazuhiko; Kasama, Yasuhiko; Kwon, Eunsang; Yamashita, Masahiro
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	84
Pages of publication	12785 - 12788
a	22.7366 ± 0.001 Å
b	17.3024 ± 0.0011 Å
c	22.0606 ± 0.001 Å
α	90°
β	90.923 ± 0.004°
γ	90°
Cell volume	8677.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1268
Residual factor for significantly intense reflections	0.1252
Weighted residual factors for significantly intense reflections	0.2828
Weighted residual factors for all reflections included in the refinement	0.2837
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
260693 (current)	2021-01-07	cif/ Updating files of 7127230, 7127231, 7127232, 7127233, 7127234, 7127235, 7127236 Original log message: Adding full bibliography for 7127230--7127236.cif.	7127230.cif
256438	2020-09-16	cif/ Adding structures of 7127230, 7127231, 7127232, 7127233, 7127234, 7127235, 7127236 via cif-deposit CGI script.	7127230.cif