Crystallography Open Database

Information card for entry 4083680

Preview

Coordinates	4083680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H32 N6 Yb2
Calculated formula	C30 H32 N6 Yb2
SMILES	[Yb]123456789%10([NH]%11[Yb]%12%13%14%15%16%17%18%19([n]%20c%11c(N)ccc%20)([NH]1c1c(N)ccc[n]21)([cH]1[cH]%14[cH]%13[cH]%12[cH]%151)[cH]1[cH]%17[cH]%19[cH]%16[cH]%181)([cH]1[cH]3[cH]4[cH]6[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]%101
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	19.693 ± 0.007 Å
b	18.826 ± 0.006 Å
c	16.666 ± 0.006 Å
α	90°
β	113.394 ± 0.004°
γ	90°
Cell volume	5671 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0732
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	0.875
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.	4083680.cif
117717	2014-06-15	cif/ Adding structures of 4083680 via cif-deposit CGI script.	4083680.cif