Crystallography Open Database

Information card for entry 4337429

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Structure parameters

Formula	C36 H48 N4 O Yb
Calculated formula	C36 H48 N4 O Yb
SMILES	[Yb]1(N(C(=Nc2c(cccc2C)C)C(C)(C)C)c2c(N1C(=Nc1c(cccc1C)C)C(C)(C)C)cccc2)[O]1CCCC1
Title of publication	Reversible Switching of Coordination Mode of ansa bis(Amidinate) Ligand in Ytterbium Complexes Driven by Oxidation State of the Metal Atom.
Authors of publication	Tolpygin, Aleksei O.; Cherkasov, Anton V.; Fukin, Georgii K.; Trifonov, Alexander A.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1537 - 1543
a	15.4041 ± 0.0004 Å
b	26.9046 ± 0.0007 Å
c	32.7428 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	13570 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4337429.cif
179477	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/74.	4337429.cif
106369	2014-03-15	cif/ Adding structures of 4337429, 4337430, 4337431 via cif-deposit CGI script.	4337429.cif