Crystallography Open Database

Information card for entry 4075387

Preview

Coordinates	4075387.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H76 La Li O5
Calculated formula	C52 H76 La Li O5
SMILES	[La](Cc1ccc(cc1)C)(Cc1ccc(cc1)C)(Cc1ccc(cc1)C)Cc1ccc(cc1)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
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	13.599 ± 0.001 Å
b	13.605 ± 0.001 Å
c	15.016 ± 0.001 Å
α	71.147 ± 0.001°
β	89.847 ± 0.001°
γ	67.519 ± 0.001°
Cell volume	2406 ± 0.3 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4075387.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075387.cif
49222	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075387 via cif-deposit CGI script.	4075387.cif