Crystallography Open Database

Information card for entry 7219257

7219256 << 7219257 >> 7219258

Preview

Coordinates	7219257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 N6 P2 Ru S2
Calculated formula	C44 H42 N6 P2 Ru S2
SMILES	c1(ccccc1)[P]1([Ru]234([N](=Cc5c1cccc5)N=C(NCC)S4)[N](=Cc1c(cccc1)[P]2(c1ccccc1)c1ccccc1)N=C(NCC)S3)c1ccccc1
Title of publication	Ruthenium(II) Complexes Containing Phosphine-Functionalized Thiosemicarbazone Ligand: Synthesis, Structures and Catalytic C-N Bond Formation Reactions via N-alkylation
Authors of publication	Ramachandran, Rangasamy; Prakash, Govind; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan; Linert, Wolfgang; Gusev, Alexey N.
Journal of publication	RSC Adv.
Year of publication	2015
a	11.08 ± 0.002 Å
b	22.178 ± 0.004 Å
c	16.849 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4140.3 ± 1.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
180523 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/92.	7219257.cif
129505	2015-01-10	cif/ Adding structures of 7219256, 7219257, 7219258 via cif-deposit CGI script.	7219257.cif