Crystallography Open Database

Information card for entry 1564136

Preview

Coordinates	1564136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H39 As2 N3 O2 Ru S
Calculated formula	C51 H39 As2 N3 O2 Ru S
SMILES	[Ru]12(N3C(=N[N]2=Cc2c(O1)cccc2)Sc1c3cccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)([As](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
Title of publication	Synthesis and structural characterization of facile ruthenium(II) hydrazone complexes: Efficient catalysts in α-alkylation of ketones with primary alcohols via hydrogen auto transfer
Authors of publication	Vijayapritha, Subbarayan; Murugan, Kaliyappan; Viswanathamurthi, Periasamy; Vijayan, Paranthaman; Kalaiarasi, Chinnasamy
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119887
a	11.8308 ± 0.0002 Å
b	25.8399 ± 0.0005 Å
c	15.0943 ± 0.0003 Å
α	90°
β	108.415 ± 0.001°
γ	90°
Cell volume	4378.14 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
267506 (current)	2021-07-13	cif/ Adding structures of 1564135, 1564136 via cif-deposit CGI script.	1564136.cif