Crystallography Open Database

Information card for entry 4514123

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Coordinates	4514123.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2b
Formula	C25 H26 F2 N2 Pt S
Calculated formula	C25 H26 F2 N2 Pt S
SMILES	C[S](C)[Pt]1(c2ccccc2)[n]2c(cc(cc2)C(C)(C)C)c2cc3c(c(ccc3F)F)n12
Title of publication	Olefin Hydroarylation Catalyzed by (pyridyl-indolate)Pt(II) Complexes: Catalytic Efficiencies and Mechanistic Aspects
Authors of publication	Suslick, Benjamin A.; Liberman-Martin, Allegra L.; Wambach, Truman C.; Tilley, T. Don
Journal of publication	ACS Catalysis
Year of publication	2017
Pages of publication	4313
a	9.0052 ± 0.0004 Å
b	10.3193 ± 0.0005 Å
c	13.9951 ± 0.0006 Å
α	90.135 ± 0.002°
β	92.418 ± 0.002°
γ	94.402 ± 0.002°
Cell volume	1295.52 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0178
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0424
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
196998 (current)	2017-05-27	cif/ Adding structures of 4514123 via cif-deposit CGI script.	4514123.cif