Crystallography Open Database

Information card for entry 7711841

Preview

Coordinates	7711841.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ru-2pytpy-sac-in
Formula	C41 H28 N8 O6 Ru S2
Calculated formula	C41 H28 N8 O6 Ru S2
SMILES	[Ru]12([n]3c(c4[n]2cccc4)cc(c2ncccc2)cc3c2[n]1cccc2)(N1S(=O)(=O)c2c(C1=O)cccc2)(N1S(=O)(=O)c2c(C1=O)cccc2)[n]1[nH]c2c(c1)cccc2
Title of publication	Quaternary Ru(II) complexes of terpyridines, saccharin and 1,2-azoles: effect of substituents on molecular structure, speciation, photoactivity, and photocytotoxicity.
Authors of publication	Kumar, Priyaranjan; Singh, Prerana; Saren, Sanjoy; Sayala, Juhi; Sivakumar, Sri; Patra, Ashis K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
a	12.4757 ± 0.0005 Å
b	12.9156 ± 0.0005 Å
c	13.464 ± 0.0005 Å
α	86.073 ± 0.001°
β	78.222 ± 0.001°
γ	61.278 ± 0.001°
Cell volume	1861.38 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
279520 (current)	2022-11-24	cif/ Adding structures of 7711837, 7711838, 7711839, 7711840, 7711841, 7711842 via cif-deposit CGI script.	7711841.cif