Crystallography Open Database

Information card for entry 4083675

Preview

Coordinates	4083675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H77 N6 O2 Yb
Calculated formula	C50 H77 N6 O2 Yb
SMILES	[Yb]123456789%10([N](=C(N1C1CCCCC1)NC1CCCCC1)c1ccccc1[N]2=C(NC1CCCCC1)NC1CCCCC1)([cH]1[cH]3[cH]4[cH]5[cH]61)[cH]1[cH]7[cH]8[cH]%10[cH]91.O1CCCC1.O1CCCC1
Title of publication	Multiple N−H Bond Activation: Synthesis and Reactivity of Functionalized Primary Amido Ytterbium Complexes
Authors of publication	Pi, Chengfu; Zhang, Zhengxing; Pang, Zhen; Zhang, Jie; Luo, Jun; Chen, Zhenxia; Weng, Linhong; Zhou, Xigeng
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	8
Pages of publication	1934
a	11.888 ± 0.002 Å
b	12.474 ± 0.003 Å
c	18.948 ± 0.003 Å
α	89.943 ± 0.002°
β	107.317 ± 0.002°
γ	114.887 ± 0.003°
Cell volume	2408.2 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0435
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0695
Weighted residual factors for all reflections included in the refinement	0.072
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
178725 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/36.	4083675.cif
117712	2014-06-15	cif/ Adding structures of 4083675 via cif-deposit CGI script.	4083675.cif