Crystallography Open Database

Information card for entry 4088634

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Structure parameters

Formula	C31 H60 N2 O5 Si2 Yb
Calculated formula	C31 H60 N2 O5 Si2 Yb
SMILES	[Yb]12345(N([Si](C)(C)C)[Si](C)(C)C)Oc6c(cc(cc6C(C)(C)C)C(C)(C)C)C[N]65CC[O]1CC[O]2CC[O]3CC[O]4CC6
Title of publication	Amino Ether–Phenolato Precatalysts of Divalent Rare Earths and Alkaline Earths for the Single and Double Hydrophosphination of Activated Alkenes
Authors of publication	Basalov, Ivan V.; Liu, Bo; Roisnel, Thierry; Cherkasov, Anton V.; Fukin, Georgy K.; Carpentier, Jean-François; Sarazin, Yann; Trifonov, Alexander A.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	19
Pages of publication	3261
a	11.52832 ± 0.00016 Å
b	18.607 ± 0.0002 Å
c	17.9724 ± 0.0003 Å
α	90°
β	106.356 ± 0.0015°
γ	90°
Cell volume	3699.2 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0358
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4088634.cif
237735	2019-11-24	cif/ Adding structures of 4088634 via cif-deposit CGI script.	4088634.cif