Crystallography Open Database

Information card for entry 4086183

Preview

Coordinates	4086183.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{(n6-C6H3Me3)Pt[(Me(C2F5)2P]CH3+B(C6F5)4-
Formula	C39 H18 B F30 P Pt
Calculated formula	C39 H18 B F30 P Pt
SMILES	[Pt]12345([P](C)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)(C)[c]6([cH]1[c]2([cH]3[c]4([cH]56)C)C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Synthesis and Structural Characterization of an Unusual Platinum π-Arene Complex: (η6-C6H3Me3)Pt[(C2F5)2PMe]Me+
Authors of publication	Thapaliya, Bhusan; Debnath, Suman; Arulsamy, Navamoney; Roddick, Dean M.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	16
Pages of publication	4018
a	14.3275 ± 0.0005 Å
b	16.2723 ± 0.0005 Å
c	17.7781 ± 0.0006 Å
α	90°
β	98.722 ± 0.002°
γ	90°
Cell volume	4096.9 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.056
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0769
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	0.921
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
154738 (current)	2015-09-06	cif/ Updating files of 4086183 Original log message: Adding full bibliography for 4086183.cif.	4086183.cif
153124	2015-08-08	cif/ Adding structures of 4086183 via cif-deposit CGI script.	4086183.cif