Crystallography Open Database

Information card for entry 4078745

Preview

Coordinates	4078745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H54 Li2 N2 O P2
Calculated formula	C48 H54 Li2 N2 O P2
Title of publication	Synthesis and Characterization of Bidentate Rare-Earth Iminophosphoraneo-Aryl Complexes and Their Behavior As Catalysts for the Polymerization of 1,3-Butadiene
Authors of publication	Martinez-Arripe, Elsa; Jean-Baptiste-dit-Dominique, François; Auffrant, Audrey; Le Goff, Xavier-Frédéric; Thuilliez, Julien; Nief, François
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	13
Pages of publication	4854
a	28.118 ± 0.001 Å
b	33.105 ± 0.001 Å
c	18.385 ± 0.001 Å
α	90°
β	90 ± 0.001°
γ	90°
Cell volume	17113.6 ± 1.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1563
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178676 (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 4/07/87.	4078745.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078745.cif
66384	2012-09-09	cif/ Adding structures of 4078745, 4078746, 4078747, 4078748, 4078749, 4078750, 4078751 via cif-deposit CGI script.	4078745.cif