Crystallography Open Database

Information card for entry 4063211

Preview

Coordinates	4063211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H76 Li4 N4 Si4
Calculated formula	C48 H76 Li4 N4 Si4
SMILES	[Si]1(c2ccc3[c]45(c2)[Li]2([N](C3)(C)C)[c]367cc8ccc3C[N](C)(C)[Li]46[c]346c(ccc(c3)[Si](C)(C)CC1)C[N](C)(C)[Li]74[c]132c(ccc(c1)[Si](C)(C)CC[Si]8(C)C)C[N](C)(C)[Li]563)(C)C
Title of publication	Dendritic Carbosilanes Containing Silicon-Bonded 1-[C6H2(CH2NMe2)2-3,5-Li-4] or 1-[C6H3(CH2NMe2)-4-Li-3] Mono- and Bis(amino)aryllithium End Groups: Structure of {[CH2SiMe2C6H3(CH2NMe2)-4-Li-3]2}2
Authors of publication	Arjan W. Kleij; Henk Kleijn; Johann T. B. H. Jastrzebski; Wilberth J. J. Smeets; Anthony L. Spek; Gerard van Koten
Journal of publication	Organometallics
Year of publication	1999
Journal volume	18
Pages of publication	268 - 276
a	16.8228 ± 0.0012 Å
b	16.2206 ± 0.0011 Å
c	19.6787 ± 0.0015 Å
α	90°
β	107.566 ± 0.007°
γ	90°
Cell volume	5119.4 ± 0.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1953
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.0887
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	0.892
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
178527 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/32.	4063211.cif
120119	2014-07-12	Adding DOIs for range 4/06 structures	4063211.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063211.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.	4063211.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.	4063211.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	4063211.cif
21	2008-01-26	Replacing all my collected files in COD with a newly regenerated CIF files that now have correct syntax.	4063211.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4063211.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.	4063211.cif
5	2008-01-03	Adding 507 CIF files deposited into COD today, on 2008.01.03.	4063211.cif