Crystallography Open Database

Information card for entry 7056350

Preview

Coordinates	7056350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H17 Cl2 N5 Pt
Calculated formula	C10 H17 Cl2 N5 Pt
SMILES	[Pt](Cl)(Cl)([NH3])[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
Journal volume	41
Journal issue	15
Pages of publication	7775 - 7782
a	13.983 ± 0.004 Å
b	7.6739 ± 0.0011 Å
c	15.073 ± 0.004 Å
α	90°
β	116.36 ± 0.04°
γ	90°
Cell volume	1449.2 ± 0.8 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	0.1176
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1946
Weighted residual factors for all reflections included in the refinement	0.213
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7056350.cif
198067	2017-06-22	cif/ Adding structures of 7056348, 7056349, 7056350, 7056351 via cif-deposit CGI script.	7056350.cif