Crystallography Open Database

Information card for entry 7219258

7219257 << 7219258 >> 7219259

Preview

Coordinates	7219258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H52 N3 O P3 Ru S
Calculated formula	C59 H52 N3 O P3 Ru S
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	9.4861 ± 0.0004 Å
b	13.3046 ± 0.0005 Å
c	21.9391 ± 0.0009 Å
α	86.469 ± 0.003°
β	79.675 ± 0.003°
γ	71.36 ± 0.003°
Cell volume	2581.15 ± 0.19 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0758
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
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
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.	7219258.cif
129505	2015-01-10	cif/ Adding structures of 7219256, 7219257, 7219258 via cif-deposit CGI script.	7219258.cif