Crystallography Open Database

Information card for entry 4082654

Preview

Coordinates	4082654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 F6 N6 P Ru
Calculated formula	C26 H23 F6 N6 P Ru
SMILES	[Ru]12([n]3ccccc3c3c1cccc3)([N]#CC)([N](=Nc1cccc[n]21)c1ccccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Cytotoxicity Studies of Cyclometallated Ruthenium(II) Compounds: New Applications for Ruthenium Dyes
Authors of publication	Peña, Bruno; David, Amanda; Pavani, Christiane; Baptista, Mauricio S.; Pellois, Jean-Philippe; Turro, Claudia; Dunbar, Kim R.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	5
Pages of publication	1100
a	8.3581 ± 0.0017 Å
b	13.855 ± 0.003 Å
c	23.624 ± 0.005 Å
α	90°
β	92.49 ± 0.03°
γ	90°
Cell volume	2733.1 ± 1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0526
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
178715 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/26.	4082654.cif
106759	2014-03-16	cif/ Adding structures of 4082654, 4082655 via cif-deposit CGI script.	4082654.cif