Crystallography Open Database

Information card for entry 4077995

Preview

Coordinates	4077995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H70 Br2 P2 Pt
Calculated formula	C32 H70 Br2 P2 Pt
SMILES	[P+]([C@H](CCC)[Pt](Br)(Br)[C@@H]([P+](CCCC)(CCCC)CCCC)CCC)(CCCC)(CCCC)CCCC
Title of publication	Formation and Structure of a Platinum(II) Complex Containing TwotransNonstabilized Phosphorus Ylide Ligands: Evidence for Reversible Ylide Dissociation
Authors of publication	Dub, Pavel A.; Béthegnies, Aurélien; Daran, Jean-Claude; Poli, Rinaldo
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3081
a	9.5724 ± 0.0005 Å
b	9.8981 ± 0.0006 Å
c	10.3109 ± 0.0005 Å
α	99.468 ± 0.003°
β	94.966 ± 0.003°
γ	101.819 ± 0.003°
Cell volume	935.86 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1641
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
178668 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/79.	4077995.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077995.cif
57662	2012-05-18	cif/ Adding structures of 4077995 via cif-deposit CGI script.	4077995.cif