Crystallography Open Database

Information card for entry 4339317

Preview

Coordinates	4339317.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Pt(dmphen){CH2C6H4P(o-tolyl)2-C,P}]BArf
Formula	C67 H44 B F24 N2 P Pt
Calculated formula	C67 H44 B F24 N2 P Pt
SMILES	[Pt]12([n]3c(ccc4ccc5ccc([n]1c5c34)C)C)[P](c1ccccc1C2)(c1ccccc1C)c1ccccc1C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Title of publication	Synchronized fluxional motion and cyclometalation of ligands in platinum(II) complexes.
Authors of publication	Romeo, Raffaello; D'Amico, Giuseppina; Guido, Emanuela; Albinati, Alberto; Rizzato, Silvia
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	25
Pages of publication	10681 - 10692
a	13.1892 ± 0.0014 Å
b	18.4213 ± 0.0019 Å
c	25.996 ± 0.003 Å
α	84.902 ± 0.003°
β	84.139 ± 0.003°
γ	87.121 ± 0.003°
Cell volume	6252.8 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179496 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/93.	4339317.cif
117267	2014-06-14	cif/ Adding structures of 4339317 via cif-deposit CGI script.	4339317.cif