Crystallography Open Database

Information card for entry 4069228

Preview

Coordinates	4069228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H63 N2 O Y
Calculated formula	C47 H63 N2 O Y
SMILES	[Y]1([O]2CCCC2)([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)Cc1ccccc1
Title of publication	Low-Coordinate Organoyttrium Complexes Supported by β-Diketiminato Ligands
Authors of publication	Kenward, Alyson L.; Piers, Warren E.; Parvez, Masood
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	10
Pages of publication	3012
a	11.04 ± 0.003 Å
b	11.262 ± 0.002 Å
c	18.392 ± 0.004 Å
α	87.902 ± 0.015°
β	81.511 ± 0.012°
γ	65.934 ± 0.012°
Cell volume	2064.4 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0741
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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