Crystallography Open Database

Information card for entry 7062170

Preview

Coordinates	7062170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H34 Cl2 F4 N2 P2 Pt2
Calculated formula	C47 H34 Cl2 F4 N2 P2 Pt2
SMILES	[Pt]1(c2c(c3[n]1cccc3)c(F)cc(F)c2)(Cl)[P](C[P]([Pt]1(c2c(c3[n]1cccc3)c(F)cc(F)c2)Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Phosphorescent Pt(ii) complexes bearing cyclometalated difluorophenylpyridinate and diphosphine building blocks
Authors of publication	Shahsavari, Hamid R.; Chamyani, Samira; Aghakhanpour, Reza Babadi; Dolatyari, Vahideh; Paziresh, Sareh
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	3
Pages of publication	1435 - 1443
a	9.289 ± 0.0003 Å
b	13.9047 ± 0.0005 Å
c	17.0859 ± 0.0006 Å
α	107.901 ± 0.001°
β	90.211 ± 0.001°
γ	105.913 ± 0.001°
Cell volume	2010.17 ± 0.12 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0534
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.073
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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
281539 (current)	2023-03-04	cif/ Updating files of 7062170 Original log message: Adding full bibliography for 7062170.cif.	7062170.cif
279943	2022-12-20	cif/ Adding structures of 7062170 via cif-deposit CGI script.	7062170.cif