Crystallography Open Database

Information card for entry 7708876

Preview

Coordinates	7708876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H25 F3 N3 O P Pt S
Calculated formula	C39 H25 F3 N3 O P Pt S
SMILES	[Pt]12(c3ccccc3c3sc4c([n]13)cccc4)[O]=P(c1ccccc1c1n2c2ccc(cc2n1)C(F)(F)F)(c1ccccc1)c1ccccc1
Title of publication	Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.
Authors of publication	Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	8.8714 ± 0.0002 Å
b	27.0432 ± 0.0004 Å
c	15.3762 ± 0.0003 Å
α	90°
β	105.911 ± 0.002°
γ	90°
Cell volume	3547.59 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0518
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1199
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270756 (current)	2021-11-19	cif/ Adding structures of 7708875, 7708876, 7708877, 7708878, 7708879, 7708880, 7708881 via cif-deposit CGI script.	7708876.cif