Crystallography Open Database

Information card for entry 7712521

Preview

Coordinates	7712521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H40 B F4 N5 O2 Pt
Calculated formula	C35 H40 B F4 N5 O2 Pt
SMILES	[Pt]1(c2c(c3[n]1cccc3)cccc2)(=C(Nc1ccc(cc1)C)N1CCOCC1)=C(N1CCOCC1)Nc1ccc(cc1)C.[B](F)(F)(F)[F-]
Title of publication	Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application
Authors of publication	Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.
Journal of publication	Dalton Transactions
Year of publication	2023
a	11.6565 ± 0.0007 Å
b	11.9574 ± 0.0007 Å
c	15.1337 ± 0.0007 Å
α	80.977 ± 0.004°
β	83.061 ± 0.004°
γ	68.144 ± 0.005°
Cell volume	1929 ± 0.2 Å³
Cell temperature	99.99 ± 0.18 K
Ambient diffraction temperature	99.99 ± 0.18 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	0.038
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
281298 (current)	2023-03-04	cif/ Adding structures of 7712517, 7712518, 7712519, 7712520, 7712521, 7712522, 7712523 via cif-deposit CGI script.	7712521.cif