Crystallography Open Database

Information card for entry 7712517

Preview

Coordinates	7712517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 O8
Calculated formula	C20 H20 O8
SMILES	O1C(=C(OC)C(=O)c2c(O)cc(OC)cc12)c1cc(OC)c(OC)c(OC)c1
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	13.827 ± 0.006 Å
b	29.9 ± 0.014 Å
c	4.244 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1754.6 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.059
Goodness-of-fit parameter for all reflections	1.062
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
281298 (current)	2023-03-04	cif/ Adding structures of 7712517, 7712518, 7712519, 7712520, 7712521, 7712522, 7712523 via cif-deposit CGI script.	7712517.cif