Crystallography Open Database

Information card for entry 7056348

Preview

Coordinates	7056348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 Cl2 N8 Pt
Calculated formula	C20 H28 Cl2 N8 Pt
SMILES	[Pt](Cl)(Cl)([n]1cnn2c1nc(C)cc2CC(C)C)[n]1cnn2c1nc(C)cc2CC(C)C
Title of publication	Experimental and theoretical investigation of the complexation of 5-methyl-7-isobutyl-1,2,4-triazolo[1,5-a]pyrimidine by platinum(II) ion
Authors of publication	Łakomska, Iwona; babinska, magdalena; Wojtczak, Andrzej; Kozakiewicz, Anna; Sitkowski, Jerzy; Jarzecki, Andrzej A.
Journal of publication	New J. Chem.
Year of publication	2017
a	10.5079 ± 0.0003 Å
b	12.9149 ± 0.0004 Å
c	19.0193 ± 0.0007 Å
α	90°
β	104.295 ± 0.004°
γ	90°
Cell volume	2501.16 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0387
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0469
Weighted residual factors for all reflections included in the refinement	0.0488
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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
198067 (current)	2017-06-22	cif/ Adding structures of 7056348, 7056349, 7056350, 7056351 via cif-deposit CGI script.	7056348.cif