Crystallography Open Database

Information card for entry 7046916

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Structure parameters

Formula	C54 H120 Ce O17.5 Si4
Calculated formula	C54 H120 Ce O17.5 Si4
Title of publication	Redox-enhanced hemilability of a tris(tert-butoxy)siloxy ligand at cerium.
Authors of publication	Friedrich, Jochen; Qiao, Yusen; Maichle-Mössmer, Cäcilia; Schelter, Eric J.; Anwander, Reiner
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	30
Pages of publication	10113 - 10123
a	14.0472 ± 0.0003 Å
b	14.0472 ± 0.0003 Å
c	66.0924 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	11294.4 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7046916.cif
229805	2019-11-17	cif/ Updating files of 7046916, 7046917, 7046918, 7046919 Original log message: Adding full bibliography for 7046916--7046919.cif.	7046916.cif
208733	2018-06-29	cif/ Adding structures of 7046916, 7046917, 7046918, 7046919 via cif-deposit CGI script.	7046916.cif