Crystallography Open Database

Information card for entry 1568694

Preview

Coordinates	1568694.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C30H30Cl6Ti3Tb
Formula	C30 H30 Cl6 Tb Ti3
Calculated formula	C30 H30 Cl6 Tb Ti3
Title of publication	Tuning symmetry and magnetic blocking of an exchange-coupled lanthanide ion in isomeric, tetrametallic complexes: [LnCl<sub>6</sub>(TiCp<sub>2</sub>)<sub>3</sub>].
Authors of publication	Jiang, Ningxin; Nakritskaia, Daria D.; Xie, Jiaze; Ramanathan, Arun; Varganov, Sergey A.; La Pierre, Henry S.
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	16
Pages of publication	4302 - 4307
a	12.8107 ± 0.0018 Å
b	12.8107 ± 0.0018 Å
c	11.571 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	1644.6 ± 0.4 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0413
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
283166 (current)	2023-05-05	cif/ Updating files of 1568691, 1568692, 1568693, 1568694, 1568695, 1568696 Original log message: Adding full bibliography for 1568691--1568696.cif.	1568694.cif
282028	2023-03-24	cif/ Adding structures of 1568691, 1568692, 1568693, 1568694, 1568695, 1568696 via cif-deposit CGI script.	1568694.cif