Crystallography Open Database

Information card for entry 4070684

Preview

Coordinates	4070684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H56 N2 O P Si2 Y
Calculated formula	C39 H56 N2 O P Si2 Y
SMILES	[Y]1([N](=P(N1c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	New Rare Earth Metal Bis(alkyl)s Bearing an Iminophosphonamido Ligand. Synthesis and Catalysis toward Highly 3,4-Selective Polymerization of Isoprene
Authors of publication	Li, Shihui; Miao, Wei; Tang, Tao; Dong, Weimin; Zhang, Xuequan; Cui, Dongmei
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	718
a	20.8477 ± 0.001 Å
b	20.8477 ± 0.001 Å
c	39.083 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	16986.5 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1703
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
178595 (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 4/07/06.	4070684.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070684.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070684.cif
42643	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070683, 4070684, 4070685, 4070686 via cif-deposit CGI script.	4070684.cif