Crystallography Open Database

Information card for entry 7240187

Preview

Coordinates	7240187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H81 N4 O16 S4 Tb
Calculated formula	C60 H81 N4 O16 S4 Tb
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	15.016 ± 0.0017 Å
b	15.963 ± 0.0014 Å
c	16.766 ± 0.0016 Å
α	62.226 ± 0.003°
β	67.513 ± 0.003°
γ	79.132 ± 0.004°
Cell volume	3285.2 ± 0.6 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	0.0708
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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.	7240187.cif
249697	2020-03-25	cif/ Adding structures of 7240187, 7240188 via cif-deposit CGI script.	7240187.cif