Crystallography Open Database

Information card for entry 7119054

7119053 << 7119054 >> 7119055

Preview

Coordinates	7119054.cif

Structure parameters

Formula	C148 H234 Cl16 N2 O16 P8 Ru4
Calculated formula	C148 H234 Cl16 N2 O16 P8 Ru4
SMILES	C\1=C/c2ccc(cc2)C=C[Ru]2([O]=C(O2)c2cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc(c2)C2=[O][Ru](/C=C/c3ccc(/C=C/[Ru]4([O]=C(O4)c4cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc(c4)C4=[O][Ru]1(O4)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O])([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O])cc3)(O2)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O])([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)C#[O].C(Cl)Cl.C(Cl)Cl.ClCCl.ClCCl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
Title of publication	Redox-active tetraruthenium metallacycles: reversible release of up to eight electrons resulting in strong electrochromism
Authors of publication	Daniel Fink; Bernhard Weibert; Rainer F. Winter
Journal of publication	Chem.Commun.
Year of publication	2016
Journal volume	52
Pages of publication	6103
a	11.6168 ± 0.0019 Å
b	16.816 ± 0.002 Å
c	23.594 ± 0.004 Å
α	94.41 ± 0.012°
β	99.289 ± 0.012°
γ	107.587 ± 0.012°
Cell volume	4297.1 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1538
Residual factor for significantly intense reflections	0.0951
Weighted residual factors for significantly intense reflections	0.2303
Weighted residual factors for all reflections included in the refinement	0.2646
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
204124 (current)	2017-12-10	cif/7/ Updating space group information in entries 7118109, 7118110, 7119054, 7119055, 7119056, 7155082, 7219647.	7119054.cif
183992	2016-06-27	cif/ Adding structures of 7119053, 7119054 via cif-deposit CGI script.	7119054.cif