Crystallography Open Database

Information card for entry 4114789

Preview

Coordinates	4114789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H27 I N2 Pt Si
Calculated formula	C15 H27 I N2 Pt Si
SMILES	[Pt]12(I)[N](Cc3c2c(cc([Si](C)(C)C)c3)C[N]1(C)C)(C)C
Title of publication	Bifunctional Pincer-type Organometallics as Substrates for Organic Transformations and as Novel Building Blocks for Polymetallic Materials
Authors of publication	Gema Rodríguez; Martin Albrecht; Jeroen Schoenmaker; Alan Ford; Martin Lutz; Anthony L. Spek; Gerard van Koten
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	5127 - 5138
a	13.6334 ± 0.0015 Å
b	14.1668 ± 0.0019 Å
c	10.1738 ± 0.0008 Å
α	90°
β	100.739 ± 0.008°
γ	90°
Cell volume	1930.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
178918 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/47.	4114789.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114789.cif
68152	2012-10-19	cif/ Adding structures of 4114789 via cif-deposit CGI script.	4114789.cif