Crystallography Open Database

Information card for entry 7061086

Preview

Coordinates	7061086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Cl F2 N O Pt S
Calculated formula	C13 H12 Cl F2 N O Pt S
Title of publication	The impact of cyclometalated and phosphine ligands on the luminescence properties of cycloplatinated(ii) complexes: photophysical and theoretical investigations
Authors of publication	Shahsavari, Hamid R.; Paziresh, Sareh
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	48
Pages of publication	22732 - 22740
a	7.115 ± 0.0014 Å
b	10.484 ± 0.002 Å
c	10.9 ± 0.002 Å
α	63.89 ± 0.03°
β	72.81 ± 0.03°
γ	77.2 ± 0.03°
Cell volume	693.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0934
Residual factor for significantly intense reflections	0.0814
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.1789
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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
271865 (current)	2022-01-06	cif/ Updating files of 7061086, 7061087 Original log message: Adding full bibliography for 7061086--7061087.cif.	7061086.cif
270885	2021-11-26	cif/ Adding structures of 7061086, 7061087 via cif-deposit CGI script.	7061086.cif