Crystallography Open Database

Information card for entry 4115965

Preview

Coordinates	4115965.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 La N Si3
Calculated formula	C24 H44 La N Si3
SMILES	[La]123456789(N([SiH](C)C)[SiH](C)C)[c]%10([Si](C)(C)[c]%117[c]8([c]9([c]1([c]%112C)C)C)C)[c]3([c]4([c]5([c]6%10C)C)C)C
Title of publication	C2-Symmetric ansa-Lanthanidocene Complexes. Synthesis via Silylamine Elimination and β-SiH Agostic Rigidity
Authors of publication	Jörg Eppinger; Michael Spiegler; Wolfgang Hieringer; Wolfgang A. Herrmann; Reiner Anwander
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	3080 - 3096
a	9.529 ± 0.001 Å
b	11.145 ± 0.001 Å
c	13.573 ± 0.001 Å
α	79.68 ± 0.01°
β	83.26 ± 0.01°
γ	77.61 ± 0.01°
Cell volume	1380.4 ± 0.2 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.0291
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0605
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178930 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/59.	4115965.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4115965.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115965.cif
70530	2012-12-27	cif/ Adding structures of 4115965 via cif-deposit CGI script.	4115965.cif