Crystallography Open Database

Information card for entry 4350677

Preview

Coordinates	4350677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 N2 O2 Pt
Calculated formula	C23 H20 N2 O2 Pt
SMILES	[Pt]12(=C3N(c4c(N3C)cccc4)c3c2cc2ccccc2c3)OC(=CC(=[O]1)C)C
Title of publication	Enlarging the π system of phosphorescent (C^C*) cyclometalated platinum(II) NHC complexes.
Authors of publication	Tronnier, Alexander; Pöthig, Alexander; Metz, Stefan; Wagenblast, Gerhard; Münster, Ingo; Strassner, Thomas
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	12
Pages of publication	6346 - 6356
a	7.787 ± 0.0007 Å
b	11.399 ± 0.0005 Å
c	12.15 ± 0.0009 Å
α	62.58 ± 0.004°
β	84.406 ± 0.009°
γ	78.739 ± 0.006°
Cell volume	938.85 ± 0.12 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0204
Residual factor for significantly intense reflections	0.0164
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0569
Goodness-of-fit parameter for all reflections included in the refinement	1.3
Diffraction radiation probe	x-ray
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
239983 (current)	2019-11-25	cif/ Adding structures of 4350675, 4350676, 4350677, 4350678, 4350679, 4350680 via cif-deposit CGI script.	4350677.cif