Crystallography Open Database

Information card for entry 4305995

Preview

Coordinates	4305995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 I N O P Pt
Calculated formula	C17 H19 I N O P Pt
SMILES	[Pt]1([P](CC2=[N]1CCO2)(c1ccccc1)c1ccccc1)(I)C
Title of publication	Formation of P-C Bonds under Unexpectedly Mild Conditions. Phosphoryl Migration and Metal Coordination of Diphenylphosphinomethyl-oxazolines and -thiazolines
Authors of publication	Roberto Pattacini; Günter Margraf; Abdelatif Messaoudi; Nicola Oberbeckmann-Winter; Pierre Braunstein
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9886 - 9897
a	11.7825 ± 0.0004 Å
b	12.2252 ± 0.0005 Å
c	12.8954 ± 0.0005 Å
α	92.31 ± 0.002°
β	94.819 ± 0.002°
γ	105.997 ± 0.002°
Cell volume	1775.35 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation probe	x-ray
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
179097 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/59.	4305995.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305995.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305995.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305995.cif