Crystallography Open Database

Information card for entry 4342209

Preview

Coordinates	4342209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 F6 N11 P Pt
Calculated formula	C36 H44 F6 N11 P Pt
SMILES	CC#N.N#CC.N#CC.[Pt]12([n]3c(c4[n]1nn(c4)C14CC5CC(C1)CC(C4)C5)cccc3c1[n]2nn(c1)C12CC3CC(C2)CC(C1)C3)C#N.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Tuning the Structural and Photophysical Properties of Cationic Pt(II) Complexes Bearing Neutral Bis(triazolyl)pyridine Ligands.
Authors of publication	Allampally, Naveen Kumar; Daniliuc, Constantin-Gabriel; Strassert, Cristian A.; De Cola, Luisa
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1588 - 1596
a	19.6031 ± 0.0004 Å
b	13.6843 ± 0.0003 Å
c	29.6267 ± 0.0006 Å
α	90°
β	95.421 ± 0.001°
γ	90°
Cell volume	7912 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.157
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
179525 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22.	4342209.cif
132796	2015-03-04	cif/ Updating files of 4342206, 4342207, 4342208, 4342209 Original log message: Adding full bibliography for 4342206--4342209.cif.	4342209.cif
130413	2015-02-04	cif/ Adding structures of 4342209 via cif-deposit CGI script.	4342209.cif