Crystallography Open Database

Information card for entry 4084720

Preview

Coordinates	4084720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H38 Si2 Sn
Calculated formula	C30 H38 Si2 Sn
SMILES	[Sn]1(Cc2ccc3ccccc3c2c2c3ccccc3ccc2C1)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Chemoselective Tin‒Boron Exchange Aided by the Use of Dummy Ligands at the Tin Atom
Authors of publication	Hermeke, Julia; Mewald, Marius; Irran, Elisabeth; Oestreich, Martin
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5097
a	11.4502 ± 0.0001 Å
b	12.25515 ± 0.0001 Å
c	20.46419 ± 0.00016 Å
α	90°
β	90°
γ	90°
Cell volume	2871.62 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
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	0.0234
Residual factor for significantly intense reflections	0.0225
Weighted residual factors for significantly intense reflections	0.0573
Weighted residual factors for all reflections included in the refinement	0.0577
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178736 (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 4/08/47.	4084720.cif
126802	2014-11-11	cif/ Adding structures of 4084718, 4084719, 4084720 via cif-deposit CGI script.	4084720.cif