Crystallography Open Database

Information card for entry 2311340

Preview

Coordinates	2311340.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(η^5^-cyclopentadienyl)(3-cyclopropyl-<i>N</i>,<i>N</i>'-diisopropylpropynamidinato-κ^2^<i>N</i>,<i>N</i>')ytterbium(III)
Formula	C22 H29 N2 Yb
Calculated formula	C22 H29 N2 Yb
SMILES	C1(C#CC2CC2)=[N](C(C)C)[Yb]23456789([cH]%10[cH]3[cH]4[cH]5[cH]6%10)([cH]3[cH]7[cH]8[cH]9[cH]23)N1C(C)C
Title of publication	Crystal structures of two ytterbium(III) complexes comprising alkynylamidinate ligands.
Authors of publication	Wang, Sida; Sroor, Farid M.; Liebing, Phil; Lorenz, Volker; Hilfert, Liane; Edelmann, Frank T.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2016
Journal volume	72
Journal issue	Pt 9
Pages of publication	1229 - 1233
a	9.4578 ± 0.0002 Å
b	19.291 ± 0.0006 Å
c	22.2114 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4052.48 ± 0.18 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0379
Weighted residual factors for all reflections included in the refinement	0.0399
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
245808 (current)	2019-12-25	cif/ Adding structures of 2311340, 2311341 via cif-deposit CGI script.	2311340.cif