Crystallography Open Database

Information card for entry 4072197

Preview

Coordinates	4072197.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	EtNPNSc(CH2SiMe3)2THF
Formula	C48.5 H66 Lu N2 O P S Si2
Calculated formula	C48.5 H62 Lu N2 O P S Si2
Title of publication	Thiophene-NPN Ligand Supported Rare-Earth Metal Bis(alkyl) Complexes. Synthesis and Catalysis toward Highlytrans-1,4 Selective Polymerization of Butadiene
Authors of publication	Wang, Dun; Li, Shihui; Liu, Xinli; Gao, Wei; Cui, Dongmei
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	24
Pages of publication	6531
a	12.0645 ± 0.0008 Å
b	14.3557 ± 0.0009 Å
c	15.3451 ± 0.001 Å
α	99.231 ± 0.001°
β	96.813 ± 0.001°
γ	102.039 ± 0.001°
Cell volume	2533.5 ± 0.3 Å³
Cell temperature	184 ± 2 K
Ambient diffraction temperature	184 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4072197.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072197.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072197.cif
44285	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072197 via cif-deposit CGI script.	4072197.cif