Crystallography Open Database

Information card for entry 2242592

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Structure parameters

Chemical name	μ-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2'-bipyridine)chloridoruthenium(II)] bis(hexafluoridophosphate)
Formula	C44 H32 Cl2 F12 N10 O3 P2 Ru2
Calculated formula	C44 H32 Cl2 F12 N10 P2 Ru2
SMILES	[Ru]123(Cl)([n]4ccccc4c4[n]1c(c1[n]5[Ru]6(Cl)([n]7ccccc7c45)([n]4c1cccc4)[n]1ccccc1c1[n]6cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Crystal structure and redox potentials of the tppz-bridged {RuCl(bpy)}^+^ dimer
Authors of publication	Rein, Francisca N.; Chen, Weizhong; Scott, Brian L.; Rocha, Reginaldo C.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	9
Pages of publication	1250 - 1253
a	36.04 ± 0.03 Å
b	11.517 ± 0.011 Å
c	14.406 ± 0.014 Å
α	90°
β	95.258 ± 0.013°
γ	90°
Cell volume	5954 ± 10 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1926
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.1739
Weighted residual factors for all reflections included in the refinement	0.221
Goodness-of-fit parameter for all reflections included in the refinement	0.921
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
209859 (current)	2018-08-17	cif/ hkl/ Adding structures of 2242592 via cif-deposit CGI script.	2242592.cif 2242592.hkl