Crystallography Open Database

Information card for entry 7711463

Preview

Coordinates	7711463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 Cl F6 N3 P Ru
Calculated formula	C32 H31 Cl F6 N3 P Ru
SMILES	[Ru]123456(Cl)([n]7c(N([N]1=Cc1ccc8c(c1)cccc8)c1ccccc1)cccc7)[cH]1[c]5([cH]2[cH]3[c]4(C(C)C)[cH]61)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	DNA binding, antitubercular, antibacterial and anticancer studies of newly designed piano-stool ruthenium(II) complexes
Authors of publication	Navale, Govinda R.; Singh, Sain; Agrawal, Sonia; Ghosh, Chandrachur; Roychoudhury, Angshuman; Roy, Partha; Sarkar, Dhiman; Ghosh, Kaushik
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.6841 ± 0.0003 Å
b	14.4742 ± 0.0003 Å
c	16.9097 ± 0.0004 Å
α	90°
β	98.756 ± 0.002°
γ	90°
Cell volume	3068.31 ± 0.12 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0497
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1041
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation probe	x-ray
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
278537 (current)	2022-10-12	cif/ Adding structures of 7711463 via cif-deposit CGI script.	7711463.cif