Crystallography Open Database

Information card for entry 4070320

Preview

Coordinates	4070320.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H116 Al2 La2
Calculated formula	C76 H116 Al2 La2
SMILES	[CH3]1[La]23456789([c]%10([c]2([c]3([c]4([c]5%10C)C)C)C)C)([c]2([c]9([c]6([c]7([c]82C)C)C)C)C)[CH3][Al]([CH3][La]23456789([CH3][Al]1(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)(C)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
Title of publication	Tetramethylaluminate and Tetramethylgallate Coordination in Rare-Earth Metal Half-Sandwich and Metallocene Complexes
Authors of publication	Dietrich, H. Martin; Törnroos, Karl W.; Herdtweck, Eberhardt; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	23
Pages of publication	6739
a	11.2689 ± 0.0001 Å
b	12.863 ± 0.0001 Å
c	15.3727 ± 0.0002 Å
α	107.163 ± 0.0004°
β	100.728 ± 0.0004°
γ	111.145 ± 0.0004°
Cell volume	1875.63 ± 0.03 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0675
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178592 (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 4/07/03.	4070320.cif
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	4070320.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070320.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070320.cif
40688	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070317, 4070318, 4070319, 4070320, 4070321, 4070322 via cif-deposit CGI script.	4070320.cif