Crystallography Open Database

Information card for entry 4075152

Preview

Coordinates	4075152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H60 I La N2 Si6
Calculated formula	C22 H60 I La N2 Si6
SMILES	[La]12(I)([N]([Si](C1([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)[N]([Si](C2([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C
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	17.1751 ± 0.0003 Å
b	17.1751 ± 0.0003 Å
c	25.16 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	7421.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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.	4075152.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075152.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.	4075152.cif