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Information card for entry 4308880
Preview
Coordinates | 4308880.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H28 Br16 Na3 O14 Ru2 |
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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 Fobs | No |
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. |
4308880.cif |
120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308880.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308880.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). |
4308880.cif |
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Users of the data should acknowledge the original authors of the
structural data.