Crystallography Open Database

Information card for entry 7054528

Preview

Coordinates	7054528.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Pt(SC6F4H)(triphos)][OTf]
Chemical name	Platinum-triphos-SC6F4H Triflate
Formula	C41 H34 F7 O3 P3 Pt S2
Calculated formula	C41 H34 F7 O3 P3 Pt S2
SMILES	[Pt]12(Sc3c(F)c(F)cc(F)c3F)[P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	cis and trans influences on [Pt(SRF)(triphos)]+complexes (SRF= polyfluorobenzothiolate)
Authors of publication	Cervantes, Ruy; Tiburcio, Jorge; Torrens, Hugo
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	1
Pages of publication	631
a	10.188 ± 0.002 Å
b	19.711 ± 0.004 Å
c	21.039 ± 0.004 Å
α	90°
β	96.02 ± 0.03°
γ	90°
Cell volume	4201.7 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1537
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1729
Weighted residual factors for all reflections included in the refinement	0.2359
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180099 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45.	7054528.cif
131116	2015-02-04	cif/ Updating files of 7054526, 7054527, 7054528 Original log message: Adding full bibliography for 7054526--7054528.cif.	7054528.cif
126194	2014-11-04	cif/ Adding structures of 7054526, 7054527, 7054528 via cif-deposit CGI script.	7054528.cif