Crystallography Open Database

Information card for entry 7018579

Preview

Coordinates	7018579.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H34 Br2 N2 Si Zn
Calculated formula	C23 H34 Br2 N2 Si Zn
SMILES	Br[Zn]1(Br)[N](C)(C)[C@@H]2CCCC[C@H]2[N]1(C)C[Si](C)(c1ccccc1)c1ccccc1
Title of publication	Preparation of aminomethyl functionalised silanes via an α-lithiated amine: From their synthesis, stability and crystal structures to stereochemical issues.
Authors of publication	Gessner, Viktoria H.; Strohmann, Carsten
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	12
Pages of publication	3452 - 3460
a	12.3467 ± 0.0006 Å
b	11.0348 ± 0.0006 Å
c	19.5297 ± 0.0014 Å
α	90°
β	106.652 ± 0.007°
γ	90°
Cell volume	2549.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179889 (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 7/01/85.	7018579.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018579.cif
52138	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7018578, 7018579, 7018580, 7018581, 7018582 via cif-deposit CGI script.	7018579.cif