Crystallography Open Database

Information card for entry 4116672

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Structure parameters

Formula	C40 H36 Cl16 Na2 O14 Ru2
Calculated formula	C40 H36 Cl16 Na2 O14 Ru2
SMILES	O1[Ru]2(Oc3c(O2)c(c(c(c3Cl)Cl)Cl)Cl)(Oc2c1c(c(c(c2Cl)Cl)Cl)Cl)[Ru]12(Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O1)Oc1c(c(c(c(c1Cl)Cl)Cl)Cl)O2.O1CCCC1.O1CCCC1.[Na]1([O]2CCCC2)[OH2][Na]([OH2]1)[O]1CCCC1
Title of publication	Novel Ligand-Unsupported Diruthenium Compounds, [Ru2(Cl4Cat)4]n- (Cl4Cat = Tetrachlorocatecholate; n=2 and 3)
Authors of publication	Mitsuru Kondo; Mayumi Hamatani; Susumu Kitagawa; Cortlandt G. Pierpont; Kei Unoura
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	455 - 456
a	12.176 ± 0.003 Å
b	12.958 ± 0.003 Å
c	9.3523 ± 0.0006 Å
α	93.19 ± 0.01°
β	102.49 ± 0.01°
γ	103.48 ± 0.02°
Cell volume	1392.2 ± 0.5 Å³
Cell temperature	288.2 K
Ambient diffraction temperature	288.2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0457
Goodness-of-fit parameter for significantly intense reflections	1.938
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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