Crystallography Open Database

Information card for entry 7019415

7019414 << 7019415 >> 7019416

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Coordinates	7019415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 N2 O8 Ru2 S2
Calculated formula	C36 H44 N2 O8 Ru2 S2
SMILES	[Ru]123([S](c4ccccc4[N]3=CC=[N]3[Ru]45([S](c6c3cccc6)C)(OC(=CC(=[O]4)C)C)OC(=CC(=[O]5)C)C)C)([O]=C(C)C=C(O1)C)OC(=CC(=[O]2)C)C
Title of publication	Bis(acetonitrile)bis(acetylacetonato)ruthenium(iii) mediated chemical transformations of coordinated 2-methylthioanilide.
Authors of publication	Chatterjee, Sudipta; Mandal, Sutanuva; Samanta, Subhas; Goswami, Sreebrata
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	23
Pages of publication	7057 - 7066
a	10.4814 ± 0.0007 Å
b	14.111 ± 0.0009 Å
c	14.4284 ± 0.0009 Å
α	111.22 ± 0.001°
β	91.773 ± 0.002°
γ	90.499 ± 0.002°
Cell volume	1987.9 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0531
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179898 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94.	7019415.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019415.cif
62864	2012-07-09	cif/ Adding structures of 7019413, 7019414, 7019415, 7019416 via cif-deposit CGI script.	7019415.cif