Crystallography Open Database

Information card for entry 4084679

Preview

Coordinates	4084679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H44 N4 O3 P2 Pt2
Calculated formula	C47 H44 N4 O3 P2 Pt2
SMILES	C[Pt]1(c2cccn(c2c2cccc[n]12)=O)[P](C[P](c1ccccc1)(c1ccccc1)[Pt]1(C)c2cccn(c2c2cccc[n]12)=O)(c1ccccc1)c1ccccc1.O
Title of publication	Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex
Authors of publication	Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	19
Pages of publication	5402
a	9.491 ± 0.005 Å
b	13.395 ± 0.005 Å
c	18.933 ± 0.008 Å
α	90°
β	90.72 ± 0.014°
γ	90°
Cell volume	2406.8 ± 1.9 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
178735 (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 4/08/46.	4084679.cif
126783	2014-11-11	cif/ Adding structures of 4084675, 4084676, 4084677, 4084678, 4084679, 4084680 via cif-deposit CGI script.	4084679.cif