Crystallography Open Database

Information card for entry 4120611

4120610 << 4120611 >> 4120612

Preview

Coordinates	4120611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H75 N O2 Si Sn
Calculated formula	C58 H75 N O2 Si Sn
SMILES	[Sn](OCc1ccc(OC)cc1)N([Si](C(C)C)(C(C)C)C(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1.CCCCCC
Title of publication	Low Coordinate Germanium(II) and Tin(II) Hydride Complexes: Efficient Catalysts for the Hydroboration of Carbonyl Compounds.
Authors of publication	Hadlington, Terrance J.; Hermann, Markus; Frenking, Gernot; Jones, Cameron
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	8
Pages of publication	3028
a	10.2677 ± 0.0011 Å
b	13.953 ± 0.0013 Å
c	19.249 ± 0.002 Å
α	95.626 ± 0.008°
β	104.476 ± 0.009°
γ	97.307 ± 0.008°
Cell volume	2624.2 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.155
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.1564
Weighted residual factors for all reflections included in the refinement	0.2053
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
178983 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/06.	4120611.cif
106623	2014-03-15	cif/ Adding structures of 4120611 via cif-deposit CGI script.	4120611.cif