Crystallography Open Database

Information card for entry 7707467

Preview

Coordinates	7707467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 Cl N3 O Pd
Calculated formula	C19 H12 Cl N3 O Pd
SMILES	[Pd]12(Cl)N(c3c4[n]1cccc4ccc3)C(=O)c1ccc3c(cccc3)[n]21
Title of publication	Role of π-conjugation on the coordination behaviour, substitution kinetics, DNA/BSA interactions, and <i>in vitro</i> cytotoxicity of carboxamide palladium(II) complexes.
Authors of publication	Omondi, Reinner O.; Sibuyi, Nicole R. S.; Fadaka, Adewale O.; Meyer, Mervin; Jaganyi, Deogratius; Ojwach, Stephen O.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	23
Pages of publication	8127 - 8143
a	4.5553 ± 0.0003 Å
b	18.3946 ± 0.0009 Å
c	9.1957 ± 0.0004 Å
α	90°
β	94.978 ± 0.002°
γ	90°
Cell volume	767.63 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
267201 (current)	2021-07-05	cif/ Updating files of 7707465, 7707466, 7707467 Original log message: Adding full bibliography for 7707465--7707467.cif.	7707467.cif
265475	2021-05-25	cif/ Adding structures of 7707465, 7707466, 7707467 via cif-deposit CGI script.	7707467.cif