Crystallography Open Database

Information card for entry 4083674

Preview

Coordinates	4083674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H68 N7 O Yb
Calculated formula	C45 H68 N7 O Yb
SMILES	[Yb]123456789%10(N(C%11CCCCC%11)C(NC%11CCCCC%11)=[N]1c1ncccc1[N]2=C(NC1CCCCC1)NC1CCCCC1)([cH]1[cH]3[cH]4[cH]%10[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.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	15.177 ± 0.011 Å
b	10.778 ± 0.008 Å
c	26.82 ± 0.02 Å
α	90°
β	90.859 ± 0.01°
γ	90°
Cell volume	4387 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0881
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.1865
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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.	4083674.cif
117711	2014-06-15	cif/ Adding structures of 4083674 via cif-deposit CGI script.	4083674.cif