Crystallography Open Database

Information card for entry 4308872

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Coordinates	4308872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H120 Li2 O16 Ru2
Calculated formula	C72 H120 Li2 O16 Ru2
SMILES	c12c(cc(cc1C(C)(C)C)C(C)(C)C)O[Ru]1([O]2[Li]234([O](C)CC[O]2C)[O](C)CC[O]3C)(Oc2c(cc(cc2[O]14)C(C)(C)C)C(C)(C)C)[Ru]12(Oc3c(cc(cc3[O]1[Li]134([O](C)CC[O]1C)[O](C)CC[O]3C)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1[O]24)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	11.1297 ± 0.0003 Å
b	16.192 ± 0.001 Å
c	21.645 ± 0.002 Å
α	90°
β	100.795 ± 0.0004°
γ	90°
Cell volume	3831.7 ± 0.4 Å³
Cell temperature	223.2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for all reflections included in the refinement	1.668
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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