Crystallography Open Database

Information card for entry 4348896

Preview

Coordinates	4348896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H46 As2 Cl4 N2 O2 Ru S2
Calculated formula	C57 H46 As2 Cl4 N2 O2 Ru S2
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	13.0014 ± 0.0005 Å
b	16.8333 ± 0.0006 Å
c	24.6941 ± 0.0009 Å
α	90°
β	100.082 ± 0.004°
γ	90°
Cell volume	5321 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	8
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	0.1199
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4348896.cif