Crystallography Open Database

Information card for entry 4069899

Preview

Coordinates	4069899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H14 Cl2 F10 N2 Pt
Calculated formula	C23 H14 Cl2 F10 N2 Pt
SMILES	[Pt]1([N](=Cc2c(Cl)cccc2Cl)CC[N]1(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Kinetico-Mechanistic Insight into the Platinum-Mediated C−C Coupling of Fluorinated Arenes
Authors of publication	Calvet, Teresa; Crespo, Margarita; Font-Bardia, Mercè; Gómez, Kerman; González, Gabriel; Martínez, Manuel
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5096
a	12.271 ± 0.005 Å
b	13.321 ± 0.003 Å
c	15.371 ± 0.005 Å
α	90°
β	95.64 ± 0.02°
γ	90°
Cell volume	2500.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0406
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
178587 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/98.	4069899.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069899.cif
40503	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069899 via cif-deposit CGI script.	4069899.cif