Crystallography Open Database

Information card for entry 7712518

Preview

Coordinates	7712518.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H9 Cl2 N5
Calculated formula	C H9 Cl2 N5
SMILES	[Cl-].[Cl-].[NH2+]=C(NN)N[NH3+]
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	4.503 ± 0.002 Å
b	21.234 ± 0.008 Å
c	6.936 ± 0.002 Å
α	90°
β	94.36 ± 0.03°
γ	90°
Cell volume	661.3 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0718
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for all reflections	0.1072
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0898
Goodness-of-fit parameter for all reflections included in the refinement	0.9953
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.	7712518.cif