Crystallography Open Database

Information card for entry 4078987

Preview

Coordinates	4078987.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H52 Cl0 Li0 Lu N3 O Si2
Calculated formula	C26 H52 Lu N3 O Si2
SMILES	C1CCC[N]21Cc1ccc3C[N]4(CCCC4)[Lu]2(C[Si](C)(C)C)(C[Si](C)(C)C)(n13)[O]1CCCC1
Title of publication	NNN-Tridentate Pyrrolyl Rare-Earth Metal Complexes: Structure and Catalysis on Specific Selective Living Polymerization of Isoprene
Authors of publication	Wang, Lingfang; Liu, Dongtao; Cui, Dongmei
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6014
a	17.339 ± 0.001 Å
b	10.3224 ± 0.0006 Å
c	18.2415 ± 0.001 Å
α	90°
β	109.855 ± 0.001°
γ	90°
Cell volume	3070.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0339
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
178678 (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 4/07/89.	4078987.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078987.cif
66814	2012-09-14	cif/ Adding structures of 4078985, 4078986, 4078987, 4078988, 4078989 via cif-deposit CGI script.	4078987.cif