Crystallography Open Database

Information card for entry 4070872

Preview

Coordinates	4070872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H56 N3 Nd Si2
Calculated formula	C29 H56 N3 Nd Si2
SMILES	[Nd]12([N](=C(C)C=C(N1CC[N]2(C)C)C)c1c(cccc1C(C)C)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Dialkyllanthanide Complexes Containing New Tridentate Monoanionic Ligands with Nitrogen Donors
Authors of publication	Xu, Xin; Xu, Xiaoyan; Chen, Yaofeng; Sun, Jie
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	758
a	9.6033 ± 0.0008 Å
b	11.1048 ± 0.0009 Å
c	17.3163 ± 0.0014 Å
α	88.372 ± 0.001°
β	75.294 ± 0.001°
γ	81.282 ± 0.001°
Cell volume	1765.4 ± 0.3 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	0.0409
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
178597 (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 4/07/08.	4070872.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070872.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070872.cif
42809	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070869, 4070870, 4070871, 4070872, 4070873 via cif-deposit CGI script.	4070872.cif