Crystallography Open Database

Information card for entry 4074253

Preview

Coordinates	4074253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H64 N6 O2 S2 Yb2
Calculated formula	C44 H64 N6 O2 S2 Yb2
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Yb]1682345([N](c2c(cccc2)[S]6[Yb]234567([cH]9[cH]2[cH]3[cH]4[cH]59)([N](c2c(cccc2)[S]87)=C(NC(C)C)N6C(C)C)[O]2CCCC2)=C(NC(C)C)N1C(C)C)[O]1CCCC1
Title of publication	Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide
Authors of publication	Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	19
Pages of publication	4571
a	10.056 ± 0.003 Å
b	11.698 ± 0.004 Å
c	19.363 ± 0.006 Å
α	90°
β	93.428 ± 0.004°
γ	90°
Cell volume	2273.7 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
178631 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/42.	4074253.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074253.cif
48267	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074253 via cif-deposit CGI script.	4074253.cif