Crystallography Open Database

Information card for entry 7034511

Preview

Coordinates	7034511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 F8 O10 Ru2
Calculated formula	C36 H28 F8 O10 Ru2
SMILES	C1(c2c(F)c(ccc2)F)=[O][Ru]234([O]5CCCC5)[O]=C(c5c(c(ccc5)F)F)O[Ru]4(O1)([O]=C(c1c(c(ccc1)F)F)O2)([O]=C(c1c(F)c(F)ccc1)O3)[O]1CCCC1
Title of publication	The effect of chlorine and fluorine substitutions on tuning the ionization potential of benzoate-bridged paddlewheel diruthenium(ii, ii) complexes.
Authors of publication	Kosaka, Wataru; Itoh, Masahisa; Miyasaka, Hitoshi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	17
Pages of publication	8156 - 8168
a	7.7411 ± 0.0019 Å
b	10.973 ± 0.003 Å
c	11.011 ± 0.003 Å
α	106.408 ± 0.003°
β	92.403 ± 0.003°
γ	101.099 ± 0.004°
Cell volume	875.8 ± 0.4 Å³
Cell temperature	97 K
Ambient diffraction temperature	97 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 significantly intense reflections	0.0301
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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