Crystallography Open Database

Information card for entry 7034522

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Coordinates	7034522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H48 Cl4 O12 Ru2
Calculated formula	C44 H32 Cl4 O12 Ru2
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	12.2925 ± 0.0011 Å
b	13.8331 ± 0.0013 Å
c	15.0599 ± 0.0015 Å
α	71.143 ± 0.005°
β	71.494 ± 0.005°
γ	71.502 ± 0.006°
Cell volume	2231.3 ± 0.4 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.054
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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