Crystallography Open Database

Information card for entry 7128602

Preview

Coordinates	7128602.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(CpAr)Sc(H)(OBu)]2
Formula	C69 H95 O Sc
Calculated formula	C69 H95 O Sc
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	16.5086 ± 0.0013 Å
b	26.3426 ± 0.0019 Å
c	15.7814 ± 0.0012 Å
α	90°
β	114.871 ± 0.001°
γ	90°
Cell volume	6226.5 ± 0.8 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	0.1375
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.2029
Weighted residual factors for all reflections included in the refinement	0.2406
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7128602.cif
267312	2021-07-07	cif/ Adding structures of 7128601, 7128602, 7128603 via cif-deposit CGI script.	7128602.cif