Crystallography Open Database

Information card for entry 7000307

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Structure parameters

Formula	C21 H23 Br5 N2 Si2
Calculated formula	C21 H23 Br5 N2 Si2
SMILES	Br[Si]1(Br)N(C(=CC(=C1)N([Si](Br)(Br)Br)c1c(cccc1C)C)C)c1c(cccc1C)C
Title of publication	Twice silicon-induced C‒H activation and tautomerisation of a β-diketiminato ligand and formation of new types of N-heterocyclic silanes
Authors of publication	Xiong, Yun; Yao, Shenglai; Driess, Matthias
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	3
Pages of publication	421 - 423
a	11.1177 ± 0.0005 Å
b	13.9333 ± 0.0007 Å
c	16.9301 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2622.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0611
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for all reflections included in the refinement	0.91
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
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7000307.cif
179681	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/03.	7000307.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000307.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000307.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000307.cif