Crystallography Open Database

Information card for entry 7128601

Preview

Coordinates	7128601.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(CpAr)La(CH2-C6H4-Me)2(THF)]
Formula	C85 H111 La O
Calculated formula	C85 H111 La O
Title of publication	Scandium and lanthanum hydride complexes stabilized by super-bulky penta-arylcyclopentadienyl ligands.
Authors of publication	Wang, Yang; Del Rosal, Iker; Qin, Guorui; Zhao, Lanxiao; Maron, Laurent; Shi, Xianghui; Cheng, Jianhua
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	63
Pages of publication	7766 - 7769
a	10.7515 ± 0.0007 Å
b	29.6409 ± 0.0019 Å
c	25.592 ± 0.0017 Å
α	90°
β	99.774 ± 0.001°
γ	90°
Cell volume	8037.4 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 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	0.0557
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
268523 (current)	2021-09-06	cif/ Updating files of 7128601, 7128602, 7128603 Original log message: Adding full bibliography for 7128601--7128603.cif.	7128601.cif
267312	2021-07-07	cif/ Adding structures of 7128601, 7128602, 7128603 via cif-deposit CGI script.	7128601.cif