Crystallography Open Database

Information card for entry 4347337

Preview

Coordinates	4347337.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H35 Cl N8 O6 Ru
Calculated formula	C45 H35 Cl N8 O6 Ru
SMILES	[Ru]123(Oc4c([nH]c5c4cccc5)C4=[N]3c3c(C4=O)cccc3)([N](=Nc3[n]2cccc3)c2ccccc2)[n]2ccccc2N=[N]1c1ccccc1.Cl(=O)(=O)(=O)[O-].c1ccccc1C
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	13.346 ± 0.003 Å
b	13.673 ± 0.004 Å
c	13.733 ± 0.003 Å
α	65.766 ± 0.015°
β	62.937 ± 0.014°
γ	77.553 ± 0.018°
Cell volume	2033.7 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0597
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232273 (current)	2019-11-23	cif/ Adding structures of 4347337 via cif-deposit CGI script.	4347337.cif