Crystallography Open Database

Information card for entry 7000259

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Coordinates	7000259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H108 O10 Ru2
Calculated formula	C72 H108 O10 Ru2
Title of publication	Relationship between metal‒metal bond length and internal rotation in diruthenium tetracarboxylate paddlewheel complexes
Authors of publication	Gracia, Raquel; Adams, Harry; Patmore, Nathan J.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	2
Pages of publication	259 - 261
a	17.4405 ± 0.0019 Å
b	25.876 ± 0.003 Å
c	17.9577 ± 0.0019 Å
α	90°
β	116.524 ± 0.002°
γ	90°
Cell volume	7251.2 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0776
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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