Crystallography Open Database

Information card for entry 4075385

Preview

Coordinates	4075385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H45 La O3
Calculated formula	C36 H45 La O3
SMILES	[La]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(Cc1ccc(cc1)C)(Cc1ccc(cc1)C)Cc1ccc(cc1)C
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	10.5672 ± 0.0008 Å
b	13.42 ± 0.001 Å
c	15.033 ± 0.001 Å
α	64.923 ± 0.001°
β	73.314 ± 0.001°
γ	73.363 ± 0.001°
Cell volume	1816 ± 0.2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	4075385.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075385.cif
49220	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075385 via cif-deposit CGI script.	4075385.cif