Crystallography Open Database

Information card for entry 7122027

7122026 << 7122027 >> 7122028

Preview

Coordinates	7122027.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Tb(Cpttt)2][BArF20]
Formula	C58 H58 B F20 Tb
Calculated formula	C58 H58 B F20 Tb
Title of publication	Terbocenium: completing a heavy lanthanide metallocenium cation family with an alternative anion abstraction strategy.
Authors of publication	Goodwin, Conrad A. P.; Reta, Daniel; Ortu, Fabrizio; Liu, Jingjing; Chilton, Nicholas F.; Mills, David P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	66
Pages of publication	9182 - 9185
a	11.7358 ± 0.0004 Å
b	12.4581 ± 0.0004 Å
c	19.971 ± 0.0009 Å
α	82.81 ± 0.003°
β	89.321 ± 0.003°
γ	79.728 ± 0.003°
Cell volume	2850.32 ± 0.19 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.1912
Weighted residual factors for all reflections included in the refinement	0.2105
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
228340 (current)	2019-11-17	cif/ Updating files of 7122025, 7122026, 7122027, 7122028, 7122029 Original log message: Adding full bibliography for 7122025--7122029.cif.	7122027.cif
209220	2018-07-24	cif/ Adding structures of 7122025, 7122026, 7122027, 7122028, 7122029 via cif-deposit CGI script.	7122027.cif