Crystallography Open Database

Information card for entry 4342206

Preview

Coordinates	4342206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H15 Cl F6 N7 P Pt
Calculated formula	C21 H15 Cl F6 N7 P Pt
SMILES	[Pt]12([n]3nn(cc3c3[n]2c(c2[n]1nn(c2)c1ccccc1)ccc3)c1ccccc1)Cl.[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	6.8613 ± 0.0002 Å
b	17.8733 ± 0.0004 Å
c	20.9936 ± 0.0004 Å
α	72.697 ± 0.001°
β	87.112 ± 0.001°
γ	83.748 ± 0.001°
Cell volume	2442.96 ± 0.1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1838
Weighted residual factors for all reflections included in the refinement	0.1925
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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.	4342206.cif
132796	2015-03-04	cif/ Updating files of 4342206, 4342207, 4342208, 4342209 Original log message: Adding full bibliography for 4342206--4342209.cif.	4342206.cif
130409	2015-02-04	cif/ Adding structures of 4342206 via cif-deposit CGI script.	4342206.cif