Crystallography Open Database

Information card for entry 4347336

Preview

Coordinates	4347336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H46 Cl4 N14 O10 Ru2
Calculated formula	C61 H46 Cl4 N14 O10 Ru2
SMILES	[Ru]123(Oc4c5n([Ru]67(Oc8c5n1c1c8cccc1)([N](=Nc1[n]6cccc1)c1ccccc1)[n]1c(N=[N]7c5ccccc5)cccc1)c1c4cccc1)([N](=Nc1[n]2cccc1)c1ccccc1)[n]1ccccc1N=[N]3c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].ClCCl
Title of publication	Noninnocence of Indigo: Dehydroindigo Anions as Bridging Electron-Donor Ligands in Diruthenium Complexes.
Authors of publication	Mondal, Prasenjit; Chatterjee, Madhumita; Paretzki, Alexa; Beyer, Katharina; Kaim, Wolfgang; Lahiri, Goutam Kumar
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	6
Pages of publication	3105 - 3116
a	14.805 ± 0.003 Å
b	20.504 ± 0.004 Å
c	20.065 ± 0.005 Å
α	90°
β	92.677 ± 0.004°
γ	90°
Cell volume	6084 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1502
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232272 (current)	2019-11-23	cif/ Adding structures of 4347336 via cif-deposit CGI script.	4347336.cif