Crystallography Open Database

Information card for entry 4075176

Preview

Coordinates	4075176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 F N2 Pt
Calculated formula	C17 H15 F N2 Pt
SMILES	[Pt]123([n]4ccccc4c4n1c1ccc(cc1c4)F)[CH2]=[C]2(C)C3
Title of publication	Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands
Authors of publication	Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	7
Pages of publication	1801
a	10.386 ± 0.002 Å
b	13.784 ± 0.003 Å
c	10.202 ± 0.002 Å
α	90°
β	100.111 ± 0.005°
γ	90°
Cell volume	1437.8 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0357
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0765
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.775 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178640 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/51.	4075176.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075176.cif
49101	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075176 via cif-deposit CGI script.	4075176.cif