Crystallography Open Database

Information card for entry 4061749

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Coordinates	4061749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H39 Al2 La
Calculated formula	C18 H39 Al2 La
SMILES	[La]123456([CH3][Al]([CH3]1)(C)C)([CH3][Al]([CH3]2)(C)C)[c]1([c]4([c]5([c]6([c]31C)C)C)C)C
Title of publication	Ln(AlMe~4~)~3~ as New Synthetic Precursors in Organolanthanide Chemistry: Efficient Access to Half-Sandwich Hydrocarbyl Complexes
Authors of publication	Dietrich, M. H.; Zapilko, C.; Herdtweck, E.; Anwander, R.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	23
Pages of publication	5767 - 5771
a	14.685 ± 0.0001 Å
b	18.1332 ± 0.0001 Å
c	17.2624 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4596.74 ± 0.05 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 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	0.0317
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0504
Weighted residual factors for all reflections included in the refinement	0.0537
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
297721 (current)	2025-02-13	Restored the standard COD comment header in entries 4060773, 4060774, 4061749, 7033424.	4061749.cif
277847	2022-09-15	cif/ Added space group information derived from the space group operation list using the 'cif_filter' program.	4061749.cif
133901	2015-03-14	cif/4/06/ (antanas@echidna.ibt.lt) Merging CIF 4061749 with original CIF and updating bibliography.	4061749.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4061749.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4061749.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4061749.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4061749.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4061749.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4061749.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4061749.cif