Crystallography Open Database

Information card for entry 4075388

Preview

Coordinates	4075388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H66 B La O4
Calculated formula	C54 H66 B La O4
SMILES	[La]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(Cc1ccccc1)Cc1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry
Authors of publication	Bambirra, Sergio; Meetsma, Auke; Hessen, Bart
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	14
Pages of publication	3454
a	18.3872 ± 0.0009 Å
b	18.3346 ± 0.0009 Å
c	27.242 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	9183.9 ± 0.7 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
178642 (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 4/07/53.	4075388.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075388.cif
49223	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075388 via cif-deposit CGI script.	4075388.cif