Crystallography Open Database

Information card for entry 4083681

Preview

Coordinates	4083681.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 N4 Yb2
Calculated formula	C38 H34 N4 Yb2
SMILES	[Yb]123456789%10([NH]([Yb]%11%12%13%14%15%16%17%18%19([NH]2c2c%20[n]%11cccc%20ccc2)([cH]2[cH]%13[cH]%14[cH]%12[cH]%152)[cH]2[cH]%17[cH]%16[cH]%18[cH]%192)c2c%11[n]1cccc%11ccc2)([cH]1[cH]3[cH]4[cH]5[cH]61)[cH]1[cH]%10[cH]7[cH]8[cH]91
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	11.191 ± 0.004 Å
b	15.599 ± 0.005 Å
c	36.782 ± 0.011 Å
α	90°
β	94.926 ± 0.005°
γ	90°
Cell volume	6397 ± 4 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	0.0714
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0743
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.	4083681.cif
117718	2014-06-15	cif/ Adding structures of 4083681 via cif-deposit CGI script.	4083681.cif