Crystallography Open Database

Information card for entry 7226577

Preview

Coordinates	7226577.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H22 B Cl F4 N4 Ru
Calculated formula	C19 H22 B Cl F4 N4 Ru
SMILES	[Ru]123456(Cl)([n]7ccccc7c7[n]1c(ncc7)N)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[B](F)(F)(F)[F-]
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	9.329 ± 0.0019 Å
b	10.369 ± 0.002 Å
c	11.557 ± 0.002 Å
α	94.36 ± 0.03°
β	96.55 ± 0.03°
γ	112.79 ± 0.03°
Cell volume	1015.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0916
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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.	7226577.cif