Crystallography Open Database

Information card for entry 7049970

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Structure parameters

Formula	C44 H64 N4 O Yb
Calculated formula	C44 H64 N4 O Yb
Title of publication	Alternative (κ<sup>1</sup>-N:η<sup>6</sup>-arene vs.κ<sup>2</sup>-N,N) coordination of a sterically demanding amidinate ligand: are size and electronic structure of the Ln ion decisive factors?
Authors of publication	Tolpygin, Aleksei O.; Shavyrin, Andrei S.; Cherkasov, Anton V.; Fukin, Georgy K.; Del Rosal, Iker; Maron, Laurent; Trifonov, Alexander A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	23
Pages of publication	8317 - 8326
a	10.5855 ± 0.0001 Å
b	11.9856 ± 0.0001 Å
c	16.2221 ± 0.0002 Å
α	81.575 ± 0.001°
β	87.14 ± 0.001°
γ	77.417 ± 0.001°
Cell volume	1986.7 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0272
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0521
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	7049970.cif
224437	2019-11-08	cif/ Updating files of 7049970, 7049971, 7049972, 7049973 Original log message: Adding full bibliography for 7049970--7049973.cif.	7049970.cif
214983	2019-05-08	cif/ Adding structures of 7049970, 7049971, 7049972, 7049973 via cif-deposit CGI script.	7049970.cif