Crystallography Open Database

Information card for entry 7705632

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Coordinates	7705632.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H62 N2 O2 Ru S2
Calculated formula	C54 H62 N2 O2 Ru S2
SMILES	[Ru]1234([S](c5c(N4c4cc(C(C)(C)C)cc(c4O1)C(C)(C)C)cccc5)Cc1ccccc1)[S](c1ccccc1N3c1c(O2)c(C(C)(C)C)cc(c1)C(C)(C)C)Cc1ccccc1
Title of publication	Probing the electronic structure of [Ru(L<sup>1</sup>)<sub>2</sub>]<sup> <i>Z</i> </sup> (<i>z</i> = 0, 1+ and 2+) (H<sub>2</sub>L<sup>1</sup>: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels.
Authors of publication	Saha, Anannya; Rajput, Amit; Gupta, Puneet; Mukherjee, Rabindranath
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	43
Pages of publication	15355 - 15375
a	10.568 ± 0.005 Å
b	11.825 ± 0.005 Å
c	21.385 ± 0.005 Å
α	81.66 ± 0.005°
β	85.142 ± 0.005°
γ	67.475 ± 0.005°
Cell volume	2441.2 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1289
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1825
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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