Crystallography Open Database

Information card for entry 7248295

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Coordinates	7248295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 Cl N4 O Ru S
Calculated formula	C22 H21 Cl N4 O Ru S
SMILES	[Ru]123456(Cl)(N(C(=O)c7[n]1ccnc7)c1sc7c(n1)cccc7)[cH]1[c]6([cH]2[cH]5[c]4([cH]31)C(C)C)C
Title of publication	Heterocyclic (pyrazine)carboxamide Ru(ii) complexes: structural, experimental and theoretical studies of interactions with biomolecules and cytotoxicity
Authors of publication	Tsaulwayo, Nokwanda; Omondi, Reinner O.; Vijayan, Paranthaman; Sibuyi, Nicole R. S.; Meyer, Miché D.; Meyer, Mervin; Ojwach, Stephen O.
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	12
Pages of publication	8322 - 8330
a	21.402 ± 0.0014 Å
b	12.5878 ± 0.0008 Å
c	18.9598 ± 0.0013 Å
α	90°
β	123.154 ± 0.003°
γ	90°
Cell volume	4276.3 ± 0.5 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
290440 (current)	2024-03-12	cif/ Adding structures of 7248295 via cif-deposit CGI script.	7248295.cif