Crystallography Open Database

Information card for entry 7043426

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Structure parameters

Formula	C31 H28 F12 N6 P2 Ru
Calculated formula	C31 H28 F12 N6 P2 Ru
SMILES	[Ru]1234([N]#CC)[n]5c(cccc5)C(c5[n]3c(C(c3[n]2cccc3)(c2[n]4cccc2)C)ccc5)(c2[n]1cccc2)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Synthesis, characterization and solution behavior of a systematic series of pentapyridyl-supported RuII complexes: Comparison to bimetallic analogs
Authors of publication	Park, Sungho V.; Berry, John F.
Journal of publication	Dalton Trans.
Year of publication	2017
a	11.443 ± 0.004 Å
b	12.524 ± 0.004 Å
c	13.131 ± 0.005 Å
α	110.34 ± 0.02°
β	108.484 ± 0.013°
γ	90.749 ± 0.014°
Cell volume	1657.3 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0608
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.086
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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