Crystallography Open Database

Information card for entry 4113786

Preview

Coordinates	4113786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H30 Cl4 N2 O2 P2 Pt
Calculated formula	C35 H30 Cl4 N2 O2 P2 Pt
SMILES	c1(cccc(n1)O)[P](c1ccccc1)(c1ccccc1)[Pt](Cl)(Cl)[P](c1cccc(=O)[nH]1)(c1ccccc1)c1ccccc1.C(Cl)Cl
Title of publication	Hydrogen Bonding as a Construction Element for Bidentate Donor Ligands in Homogeneous Catalysis: Regioselective Hydroformylation of Terminal Alkenes
Authors of publication	Bernhard Breit; Wolfgang Seiche
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	6608 - 6609
a	16.8292 ± 0.0003 Å
b	11.1616 ± 0.0002 Å
c	18.6043 ± 0.0003 Å
α	90°
β	101.781 ± 0.0011°
γ	90°
Cell volume	3421.03 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0478
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
178908 (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 4/11/37.	4113786.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113786.cif
67058	2012-09-18	cif/ Adding structures of 4113786 via cif-deposit CGI script.	4113786.cif