Crystallography Open Database

Information card for entry 1572685

Preview

Coordinates	1572685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Cl2 N3 O Pd
Calculated formula	C13 H15 Cl2 N3 O Pd
Title of publication	Di(pyridin-2-yl)amino-substituted 1,10-phenanthrolines and their Ru(II)-Pd(II) dinuclear complexes: synthesis, characterization and application in Cu-free Sonogashira reaction.
Authors of publication	Ionova, Violetta A.; Dmitrieva, Alena V.; Abel, Anton S.; Sergeev, Aleksandr D.; Evko, Grigory S.; Yakushev, Alexei A.; Gontcharenko, Victoria E.; Nefedov, Sergei E.; Roznyatovsky, Vitaly A.; Cheprakov, Andrey V.; Averin, Alexei D.; Magdesieva, Tatiana V.; Beletskaya, Irina P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	41
Pages of publication	17021 - 17035
a	12.0324 ± 0.001 Å
b	15.188 ± 0.0013 Å
c	16.2973 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2978.3 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.107
Weighted residual factors for all reflections included in the refinement	0.1159
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
296510 (current)	2024-12-06	cif/ Updating files of 1572684, 1572685, 1572686, 1572687 Original log message: Adding full bibliography for 1572684--1572687.cif.	1572685.cif
294872	2024-09-25	cif/ Adding structures of 1572684, 1572685, 1572686, 1572687 via cif-deposit CGI script.	1572685.cif