Crystallography Open Database

Information card for entry 4308873

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Coordinates	4308873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H100 K2 O12 Ru2
Calculated formula	C64 H100 K2 O12 Ru2
SMILES	[Ru]1234[O]5c6c(cc(cc6[O]1[K]167([O]3c3c([O]2[K]285([O]5[Ru]94([O]6c4c(cc(cc54)C(C)(C)C)C(C)(C)C)[O]7c4c(cc(cc4[O]29)C(C)(C)C)C(C)(C)C)[O](C)CC[O]8C)c(cc(c3)C(C)(C)C)C(C)(C)C)[O](C)CC[O]1C)C(C)(C)C)C(C)(C)C
Title of publication	Effects of Countercations on the Structures and Redox and Spectroscopic Properties of Diruthenium Catecholate Complexes with Ligand-Unsupported Ru-Ru Bonds
Authors of publication	Ho-Chol Chang; Katsunori Mochizuki; Susumu Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3810 - 3817
a	30.572 ± 0.003 Å
b	30.572 ± 0.003 Å
c	19.309 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	15629 ± 3 Å³
Cell temperature	223.2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.042
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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