Crystallography Open Database

Information card for entry 4308877

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Coordinates	4308877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H48 Br16 Na2 O14 Ru2
Calculated formula	C48 H48 Br16 Na2 O14 Ru2
SMILES	[Ru]123456([Ru]789(Oc%10c(Br)c(Br)c(Br)c(Br)c%10[O]7[Na]72([O]4c2c([O]3[Na]1([O]5c1c(Br)c(Br)c(Br)c(Br)c1[O]67)([O]8c1c(Br)c(Br)c(Br)c(Br)c1O9)([O]1CCCC1)[O]1CCCC1)c(Br)c(Br)c(Br)c2Br)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1)[O]1CCCC1
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	13.287 ± 0.002 Å
b	14.054 ± 0.002 Å
c	18.642 ± 0.002 Å
α	90.994 ± 0.006°
β	95.842 ± 0.004°
γ	105.648 ± 0.006°
Cell volume	3331 ± 0.8 Å³
Cell temperature	223.2 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	0.0656
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.217
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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