Crystallography Open Database

Information card for entry 4075201

Preview

Coordinates	4075201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H49 Lu O2 Si2
Calculated formula	C29 H49 Lu O2 Si2
SMILES	[Lu]([O]1CCCC1)([O]1CCCC1)(C(c1ccccc1)c1ccccc1)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Organometallic Compounds of the Lanthanides. 179.1Synthesis and Structural Characterization of a Mixed Alkyl (Benzhydryl, Trimethylsilylmethyl) Lutetium Complex
Authors of publication	Schumann, Herbert; Freckmann, Dominique M. M.; Dechert, Sebastian
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	10
Pages of publication	2696
a	16.7997 ± 0.0003 Å
b	10.773 ± 0.0002 Å
c	19.5836 ± 0.0001 Å
α	90°
β	112.997 ± 0.001°
γ	90°
Cell volume	3262.62 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0585
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0786
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
178641 (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 4/07/52.	4075201.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075201.cif
49116	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075200, 4075201 via cif-deposit CGI script.	4075201.cif