Crystallography Open Database

Information card for entry 4069548

Preview

Coordinates	4069548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H55 N3 O P Si2 Y
Calculated formula	C38 H55 N3 O P Si2 Y
SMILES	[Y]12([N](=P(N1c1[n]2cccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Highly 3,4-Selective Polymerization of Isoprene with NPN Ligand Stabilized Rare-Earth Metal Bis(alkyl)s. Structures and Performances
Authors of publication	Li, Shihui; Cui, Dongmei; Li, Danfeng; Hou, Zhaomin
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4814
a	20.8486 ± 0.0005 Å
b	20.8486 ± 0.0005 Å
c	38.22 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	16612.9 ± 1 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0908
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
178584 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/95.	4069548.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069548.cif
40326	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069542, 4069543, 4069544, 4069545, 4069546, 4069547, 4069548 via cif-deposit CGI script.	4069548.cif