Crystallography Open Database

Information card for entry 2242038

2242037 << 2242038 >> 2242039

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Structure parameters

Chemical name	(2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3,5-di-<i>tert</i>-butyl-<i>o</i>-benzoquinonato-κ^2^<i>O</i>,<i>O</i>')ruthenium(II)
Formula	C38 H48 N2 O4 Ru
Calculated formula	C38 H48 N2 O4 Ru
SMILES	[Ru]123(Oc4c(O2)cc(C(C)(C)C)cc4C(C)(C)C)(Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2O1)[n]1ccccc1c1[n]3cccc1
Title of publication	Crystal structure of (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(3,5-di-<i>tert</i>-butyl-<i>o</i>-benzoquinonato-κ^2^<i>O</i>,<i>O</i>')ruthenium(II)
Authors of publication	Faizi, Md. Serajul Haque; Ali, Akram; Potaskalov, Vadim A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	3
Pages of publication	459 - 462
a	10.125 ± 0.005 Å
b	10.325 ± 0.005 Å
c	17.419 ± 0.005 Å
α	76.583 ± 0.005°
β	83.238 ± 0.005°
γ	85.777 ± 0.005°
Cell volume	1756.9 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
192753 (current)	2017-03-02	cif/ hkl/ Adding structures of 2242038 via cif-deposit CGI script.	2242038.cif 2242038.hkl