Crystallography Open Database

Information card for entry 7000306

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Structure parameters

Formula	C21 H24 Br2 N2 Si
Calculated formula	C21 H24 Br2 N2 Si
SMILES	[Si]1(Br)(Br)N(C(=CC(=C1)Nc1c(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	14.945 ± 0.0004 Å
b	8.272 ± 0.0002 Å
c	17.7852 ± 0.0004 Å
α	90°
β	104.903 ± 0.003°
γ	90°
Cell volume	2124.74 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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.	7000306.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.	7000306.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000306.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000306.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000306.cif