Crystallography Open Database

Information card for entry 4348955

Preview

Coordinates	4348955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H33 N3 Pt
Calculated formula	C34 H33 N3 Pt
SMILES	[Pt]123[N](=Cc4c5[n]1c1c(c5cc(c4)C)cc(cc1C=[N]2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C3)C)C
Title of publication	Cyclometallation of the NNN pincer ligand in complexes of platinum
Authors of publication	DeMott, Jessica C.; Dekarske, John R.; McCulloch, Billy J.; Ozerov, Oleg V.
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	10
Pages of publication	912
a	8.062 ± 0.004 Å
b	13.212 ± 0.006 Å
c	15.156 ± 0.007 Å
α	106.698 ± 0.005°
β	104.862 ± 0.005°
γ	91.891 ± 0.005°
Cell volume	1484.6 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
233507 (current)	2019-11-23	cif/ Adding structures of 4348953, 4348954, 4348955 via cif-deposit CGI script.	4348955.cif