Crystallography Open Database

Information card for entry 7043684

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Structure parameters

Formula	C61 H66 N2 O2 Si Yb
Calculated formula	C61 H66 N2 O2 Si Yb
SMILES	[Yb]12(N(c3c(cccc3c3cc(cc(c3)C)C)c3cc(cc(c3)C)C)[SiH](N2c2c(cccc2c2cc(cc(c2)C)C)c2cc(cc(c2)C)C)c2ccccc2)[O](C)CC[O]1C.Cc1ccccc1
Title of publication	Synthesis of Divalent Ytterbium Terphenylamide and Catalytic Application for Regioselective Hydrosilylation of Alkenes
Authors of publication	Shi, Yinghua; Li, Jianfeng; Cui, Chunming
Journal of publication	Dalton Trans.
Year of publication	2017
a	17.1 ± 0.002 Å
b	17.5072 ± 0.0017 Å
c	19.438 ± 0.002 Å
α	71.668 ± 0.006°
β	85.793 ± 0.006°
γ	71.566 ± 0.005°
Cell volume	5238.2 ± 1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7043684.cif
198798	2017-07-19	cif/ Adding structures of 7043683, 7043684 via cif-deposit CGI script.	7043684.cif