Crystallography Open Database

Information card for entry 4081759

Preview

Coordinates	4081759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 Cl N3 O2 Pt
Calculated formula	C14 H14 Cl N3 O2 Pt
SMILES	[Pt]12(=c3n(ncn3c3c2cc(Cl)cc3)C)OC(=CC(=[O]1)C)C
Title of publication	Phosphorescent Platinum(II) Complexes Based on C∧C* Cyclometalating Aryltriazol-5-ylidenes
Authors of publication	Tenne, Mario; Metz, Stefan; Münster, Ingo; Wagenblast, Gerhard; Strassner, Thomas
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	21
Pages of publication	6257
a	7.317 ± 0.0011 Å
b	12.159 ± 0.0012 Å
c	16.606 ± 0.002 Å
α	90°
β	98.491 ± 0.01°
γ	90°
Cell volume	1461.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0468
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.05
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
178706 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/17.	4081759.cif
91758	2013-12-13	cif/ Adding structures of 4081758, 4081759, 4081760, 4081761, 4081762, 4081763, 4081764 via cif-deposit CGI script.	4081759.cif