Crystallography Open Database

Information card for entry 7025340

Preview

Coordinates	7025340.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(4,4?-Dimethyl-1,1?-methylene-di-1,2,4-triazoline-5,5?-diylidene) (1??,1???-dimethyl-4??,4???-methylene-di-1,2,4-triazoline-5??,5???-diylidene) platinum(II) dibromide
Formula	C14 H20 Br2 N12 Pt
Calculated formula	C14 H20 Br2 N12 Pt
SMILES	[Pt]12(=C3N(N=CN3C)CN3C=1N(C)C=N3)=C1N(N=CN1CN1C=2N(N=C1)C)C.[Br-].[Br-]
Title of publication	Blue phosphorescent platinum(ii) tetracarbene complexes with bis(triazoline-5-ylidene) ligands.
Authors of publication	Unger, Yvonne; Meyer, Dirk; Strassner, Thomas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	18
Pages of publication	4295 - 4301
a	12.904 ± 0.001 Å
b	13.725 ± 0.0013 Å
c	14.572 ± 0.0006 Å
α	111.028 ± 0.008°
β	91.364 ± 0.005°
γ	92.494 ± 0.009°
Cell volume	2404.5 ± 0.3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Ambient diffracton pressure	101.325 kPa
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	0.0356
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0578
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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
179959 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/53.	7025340.cif
92944	2014-01-12	cif/ Adding structures of 7025340 via cif-deposit CGI script.	7025340.cif