Crystallography Open Database

Information card for entry 7226576

Preview

Coordinates	7226576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H27 Cl2 N3 O Ru
Calculated formula	C21 H27 Cl2 N3 O Ru
SMILES	[Ru]12345(Cl)(Cl)([NH2]C6C(=O)N(N(C=6C)C)c6ccccc6)[c]6(C)[cH]1[cH]2[c]3([cH]4[cH]56)C(C)C
Title of publication	Arene Ruthenium (II) Complexes with Chalcone, Aminoantipyrine and Aminopyrimidine Based Ligands: Synthesis, Structure and Preliminary Evaluation of Anti-leukemia Activity
Authors of publication	Pitchaimani, J.; Raja, MR Charan; Srinivasan, Sujatha; Kar Mahapatra, Santanu; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi
Journal of publication	RSC Adv.
Year of publication	2016
a	12.175 ± 0.002 Å
b	11.563 ± 0.002 Å
c	30.76 ± 0.006 Å
α	90°
β	97.18 ± 0.03°
γ	90°
Cell volume	4296.4 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.61 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
186624 (current)	2016-09-17	cif/ Adding structures of 7226575, 7226576, 7226577 via cif-deposit CGI script.	7226576.cif