Crystallography Open Database

Information card for entry 4348897

Preview

Coordinates	4348897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H44 Cl N2 O2 P2 Ru S2
Calculated formula	C56 H44 Cl N2 O2 P2 Ru S2
SMILES	[Ru]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)(SC(=[N]1/N=C/c1c(O)ccc2ccccc12)SCc1ccccc1)C#[O]
Title of publication	Unprecedented formation of organo-ruthenium(ii) complexes containing 2-hydroxy-1-naphthaldehyde S-benzyldithiocarbazate: synthesis, X-ray crystal structure, DFT study and their biological activities in vitro
Authors of publication	Vijayan, Paranthaman; Viswanathamurthi, Periasamy; Sugumar, Paramasivam; Ponnuswamy, Mondikalipudur Nanjappagounder; Balakumaran, Manickam Dakshinamoorthi; Kalaichelvan, Pudupalayam Thangavelu; Velmurugan, Krishnaswamy; Nandhakumar, Raju; Butcher, Ray Jay
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	7
Pages of publication	620
a	14.1173 ± 0.0005 Å
b	14.4593 ± 0.0008 Å
c	14.6783 ± 0.0008 Å
α	88.9 ± 0.002°
β	71.657 ± 0.002°
γ	85.455 ± 0.002°
Cell volume	2835 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1172
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1499
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
233475 (current)	2019-11-23	cif/ Adding structures of 4348896, 4348897 via cif-deposit CGI script.	4348897.cif