Crystallography Open Database

Information card for entry 7712523

Preview

Coordinates	7712523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Cl N4 O Pt
Calculated formula	C24 H27 Cl N4 O Pt
SMILES	[Pt]1(c2c(c3[n]1cccc3)cccc2)(Cl)=C(Nc1ccc(N(C)C)cc1)N1CCOCC1
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	20.0512 ± 0.00015 Å
b	11.10207 ± 0.00008 Å
c	24.15392 ± 0.00017 Å
α	90°
β	97.6964 ± 0.0006°
γ	90°
Cell volume	5328.46 ± 0.07 Å³
Cell temperature	100.01 ± 0.11 K
Ambient diffraction temperature	100.01 ± 0.11 K
Number of distinct elements	6
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	0.0323
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	7712523.cif