Crystallography Open Database

Information card for entry 7011654

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Coordinates	7011654.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis-{(P,P,P',P'-tetramethylethylenediphosphine)-(1-(2,6-dimethylphenyl)- 2,2-bis(trimethylsilyl)-3-(trimethylsilyl-4-(2,6-dimethylphenyl)amido-1-aza-2- sila-cyclobut-3-ene-N)-lithium}
Formula	C66 H122 Li2 N4 P4 Si8
Calculated formula	C66 H122 Li2 N4 P4 Si8
SMILES	[Li]1(N(C2=C([Si]([Si](C)(C)C)([Si](C)(C)C)N2c2c(C)cccc2C)[Si](C)(C)C)c2c(cccc2C)C)[P](CC[P]([Li](N(C2=C([Si]([Si](C)(C)C)([Si](C)(C)C)N2c2c(C)cccc2C)[Si](C)(C)C)c2c(cccc2C)C)[P](CC[P]1(C)C)(C)C)(C)C)(C)C
Title of publication	Synthesis and crystal structures of novel 1-aza-2-silacyclobut-3-enes
Authors of publication	Bowen, Richard J.; Fernandes, Manuel A.; Hitchcock, Peter B.; Lappert, Michael F.; Layh, Marcus
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	16
Pages of publication	3253
a	10.1824 ± 0.0016 Å
b	12.756 ± 0.002 Å
c	18.168 ± 0.003 Å
α	100.496 ± 0.003°
β	100.679 ± 0.003°
γ	111.366 ± 0.003°
Cell volume	2077.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0707
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179820 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/16.	7011654.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011654.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011654.cif
11752	2011-02-18	cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script.	7011654.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.	7011654.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011654.cif