Crystallography Open Database

Information card for entry 7122026

7122025 << 7122026 >> 7122027

Preview

Coordinates	7122026.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Y(BH4)3(THF)3]
Formula	C12 H34.42 B2.61 I0.4 O3 Y
Calculated formula	C12 H34.424 B2.606 I0.394 O3 Y
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	8.9188 ± 0.0002 Å
b	12.5674 ± 0.0003 Å
c	16.2017 ± 0.0004 Å
α	90°
β	91.122 ± 0.002°
γ	90°
Cell volume	1815.64 ± 0.07 Å³
Cell temperature	150.11 ± 0.02 K
Ambient diffraction temperature	150.11 ± 0.02 K
Number of distinct elements	6
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	0.0949
Residual factor for significantly intense reflections	0.0715
Weighted residual factors for significantly intense reflections	0.169
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7122026.cif
209220	2018-07-24	cif/ Adding structures of 7122025, 7122026, 7122027, 7122028, 7122029 via cif-deposit CGI script.	7122026.cif