Crystallography Open Database

Information card for entry 4308874

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Coordinates	4308874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H100 O12 Rb2 Ru2
Calculated formula	C64 H100 O12 Rb2 Ru2
SMILES	[Ru]1234[O]5c6c(cc(cc6[O]1[Rb]167([O]3c3c([O]2[Rb]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	30.511 ± 0.002 Å
b	30.511 ± 0.002 Å
c	19.4609 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	15689.4 ± 1.5 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	0.0487
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.329
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308874.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308874.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308874.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308874.cif