Crystallography Open Database

Information card for entry 4085659

Preview

Coordinates	4085659.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris-(2-((dimethylamino)methyl)phenyl)-(tetrahydrofuran)-tin-lithium
Formula	C31 H44 Li N3 O Sn
Calculated formula	C31 H44 Li N3 O Sn
SMILES	[Sn]12(c3ccccc3C[N](C)([Li]2([O]2CCCC2)[N](Cc2c1cccc2)(C)C)C)c1ccccc1CN(C)C
Title of publication	Stable Divalent Triarylstannates R3SnLi Derived from 2-[(Dimethylamino)methyl]phenyllithium and SnCl2or R2Sn
Authors of publication	Jastrzebski, Johann T. B. H.; van Klaveren, Mayra; van Koten, Gerard
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	11
Pages of publication	2600
a	10.0617 ± 0.0006 Å
b	15.8787 ± 0.0007 Å
c	20.0617 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3205.2 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.152
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	0.836
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
178745 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56.	4085659.cif
140240	2015-07-05	cif/ Updating files of 4085658, 4085659 Original log message: Adding full bibliography for 4085658--4085659.cif.	4085659.cif
134580	2015-04-02	cif/ Adding structures of 4085658, 4085659 via cif-deposit CGI script.	4085659.cif