Crystallography Open Database

Information card for entry 7240188

Preview

Coordinates	7240188.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H81 Dy N4 O16 S4
Calculated formula	C60 H81 Dy N4 O16 S4
Title of publication	Mixed Tb/Dy coordination ladders based on tetra(carboxymethyl)thiacalix[4]arene: a new avenue towards luminescent molecular nanomagnets
Authors of publication	Ovsyannikov, A. S.; Khariushin, I. V.; Solovieva, S. E.; Antipin, I. S.; Komiya, H.; Marets, N.; Tanaka, H.; Ohmagari, H.; Hasegawa, M.; Zakrzewski, J. J.; Chorazy, S.; Kyritsakas, N.; Hosseini, M. W.; Ferlay, S.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	20
Pages of publication	11755 - 11765
a	15.0091 ± 0.0017 Å
b	15.9798 ± 0.0018 Å
c	16.7401 ± 0.0018 Å
α	62.217 ± 0.005°
β	67.626 ± 0.005°
γ	79.181 ± 0.006°
Cell volume	3284.5 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
258074 (current)	2020-10-06	cif/ Updating files of 7240187, 7240188 Original log message: Adding full bibliography for 7240187--7240188.cif.	7240188.cif
249697	2020-03-25	cif/ Adding structures of 7240187, 7240188 via cif-deposit CGI script.	7240188.cif