Crystallography Open Database

Information card for entry 4337105

Preview

Coordinates	4337105.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(4-Fluorophenylethynyl)-(1,1'-dipentyl-3,3'-methylene-bis(1,2,4-triazoline) -2,2'-diylidene)-platinum(II) methanol solvate 2/3
Formula	C65 H80 F4 N12 O3 Pt2
Calculated formula	C65 H80 F4 N12 O3 Pt2
Title of publication	Tuning the Luminescent Properties of Pt(II) Acetylide Complexes through Varying the Electronic Properties of N-Heterocyclic Carbene Ligands.
Authors of publication	Zhang, Yuzhen; Clavadetscher, Jessica; Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	756 - 771
a	13.8528 ± 0.0006 Å
b	15.5714 ± 0.0005 Å
c	17.863 ± 0.0006 Å
α	82.817 ± 0.003°
β	69.071 ± 0.004°
γ	73.626 ± 0.003°
Cell volume	3451.7 ± 0.2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0879
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179474 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/71.	4337105.cif
106159	2014-03-15	cif/ Adding structures of 4337102, 4337103, 4337104, 4337105 via cif-deposit CGI script.	4337105.cif