Crystallography Open Database

Information card for entry 7122028

7122027 << 7122028 >> 7122029

Preview

Coordinates	7122028.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Tb(Cpttt)29BH4)]
Formula	C34 H62 B Tb
Calculated formula	C34 H62 B 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	10.332 ± 0.0002 Å
b	15.6294 ± 0.0003 Å
c	20.5234 ± 0.0004 Å
α	90°
β	99.173 ± 0.002°
γ	90°
Cell volume	3271.8 ± 0.11 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
228340 (current)	2019-11-17	cif/ Updating files of 7122025, 7122026, 7122027, 7122028, 7122029 Original log message: Adding full bibliography for 7122025--7122029.cif.	7122028.cif
209220	2018-07-24	cif/ Adding structures of 7122025, 7122026, 7122027, 7122028, 7122029 via cif-deposit CGI script.	7122028.cif