Crystallography Open Database

Information card for entry 7003966

Preview

Coordinates	7003966.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(IndMe)(THF)3GdNTMS
Formula	C52 H71 B Gd N O3 Si2
Calculated formula	C52 H71 B Gd N O3 Si2
SMILES	[Gd]1234(N([Si](C)(C)C)[Si](C)(C)C)([O]5CCCC5)([O]5CCCC5)([O]5CCCC5)[c]5(C)[cH]2[c]23cccc[c]42[cH]51.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Generation of cationic indenyl silylamide gadolinium and scandium complexes [(Ind)Ln{N(SiMe3)2}]+[B(C6F5)4]− and their reactivity for 1,3-butadiene polymerization
Authors of publication	Tardif, Olivier; Kaita, Shojiro
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	19
Pages of publication	2531 - 2533
a	15.422 ± 0.0014 Å
b	23.773 ± 0.002 Å
c	27.047 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	9916.2 ± 1.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
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	0.0484
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
179743 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/39.	7003966.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003966.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003966.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.	7003966.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003966.cif