Crystallography Open Database

Information card for entry 4346991

Preview

Coordinates	4346991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H26.5 Cl N6.25 O6.25 Ru
Calculated formula	C35 H26.5 Cl N6.5 O6 Ru
SMILES	[Ru]123([O]=C4c5c(N2)ccc(c5C(=O)c2c4cccc2)N)([n]2c(c4[n]1cccc4)cccc2)[n]1c(c2[n]3cccc2)cccc1.Cl(=O)(=O)(=O)[O-].N#CC
Title of publication	Analysis of Redox Series of Unsymmetrical 1,4-Diamido-9,10-anthraquinone-Bridged Diruthenium Compounds.
Authors of publication	Mandal, Abhishek; Hoque, Md Asmaul; Grupp, Anita; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	5
Pages of publication	2146 - 2156
a	16.335 ± 0.003 Å
b	22.032 ± 0.004 Å
c	20.936 ± 0.004 Å
α	90°
β	111.393 ± 0.002°
γ	90°
Cell volume	7016 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1449
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
232095 (current)	2019-11-23	cif/ Adding structures of 4346991 via cif-deposit CGI script.	4346991.cif