Crystallography Open Database

Information card for entry 4075154

Preview

Coordinates	4075154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H62 I La O3 Si6
Calculated formula	C24 H62 I La O3 Si6
SMILES	[La]12(I)([O]([Si](C1([Si](C)(C)C)[Si](C)(C)C)(C)C)C)([O]([Si](C2([Si](C)(C)C)[Si](C)(C)C)(C)C)C)[O]1CCCC1
Title of publication	Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands
Authors of publication	Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	12
Pages of publication	2999
a	9.9596 ± 0.0003 Å
b	11.8759 ± 0.0004 Å
c	16.6935 ± 0.0006 Å
α	95.403 ± 0.001°
β	92.415 ± 0.001°
γ	103.775 ± 0.001°
Cell volume	1904.92 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0867
Weighted residual factors for all reflections included in the refinement	0.0886
Goodness-of-fit parameter for all reflections included in the refinement	1.229
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
178640 (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 4/07/51.	4075154.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075154.cif
49086	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075152, 4075153, 4075154, 4075155, 4075156, 4075157, 4075158 via cif-deposit CGI script.	4075154.cif