Crystallography Open Database

Information card for entry 7026393

Preview

Coordinates	7026393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H39 Ga2 La
Calculated formula	C18 H39 Ga2 La
SMILES	[La]123456([CH3][Ga]([CH3]2)(C)C)([CH3][Ga]([CH3]1)(C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
Title of publication	Donor-assisted tetramethylaluminate/gallate exchange in organolanthanide complexes: pushing the limits of Pearson's HSAB concept.
Authors of publication	Dietrich, H. Martin; Maichle-Mössmer, Cäcilia; Anwander, Reiner
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	25
Pages of publication	5783 - 5785
a	17.1433 ± 0.0009 Å
b	14.6412 ± 0.0009 Å
c	18.014 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	4521.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0799
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
179969 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/63.	7026393.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.	7026393.cif
93485	2014-01-13	cif/ Adding structures of 7026392, 7026393 via cif-deposit CGI script.	7026393.cif