Crystallography Open Database

Information card for entry 4308708

Preview

Coordinates	4308708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 F3 O6 P2 Pt S
Calculated formula	C25 H29 F3 O6 P2 Pt S
SMILES	[Pt]1([P](C(P(=[O]1)(OCC)OCC)c1ccccc1)(c1ccccc1)c1ccccc1)(OS(=O)(=O)C(F)(F)F)C
Title of publication	Synthesis and Structure of Pt(II) Phosphonato-Phosphine Complexes and of a P,O-Stabilized Metal-Metal-Bonded Pt2Ag2 Complex
Authors of publication	Nicola Oberbeckmann-Winter; Xavier Morise; Pierre Braunstein; Richard Welter
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	1391 - 1403
a	16.876 ± 0.002 Å
b	10.482 ± 0.001 Å
c	33.257 ± 0.005 Å
α	90°
β	90.87 ± 0.05°
γ	90°
Cell volume	5882.3 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179125 (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 4/30/87.	4308708.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308708.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308708.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308708.cif