Crystallography Open Database

Information card for entry 4308880

Preview

Coordinates	4308880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Br16 Na3 O14 Ru2
Calculated formula	C36 H28 Br16 Na3 O14 Ru2
SMILES	[Ru]12([Ru]34(Oc5c(Br)c(Br)c(Br)c(Br)c5O3)Oc3c(Br)c(Br)c(Br)c(Br)c3O4)(Oc3c(Br)c(Br)c(Br)c(Br)c3O1)Oc1c(Br)c(Br)c(Br)c(Br)c1O2.[Na+].[Na+].[Na+].O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O.O
Title of publication	Substituent-Directed Structural and Physicochemical Controls 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	3799 - 3809
a	12.724 ± 0.002 Å
b	27.929 ± 0.003 Å
c	15.907 ± 0.002 Å
α	90°
β	97.63 ± 0.003°
γ	90°
Cell volume	5602.8 ± 1.3 Å³
Cell temperature	223.2 K
Number of distinct elements	6
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	0.0537
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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