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Information card for entry 4307972
Preview
| Coordinates | 4307972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H104 Cl8 Co2 N2 O8 S8 |
|---|---|
| Calculated formula | C84 H104 Cl8 Co2 N2 O8 S8 |
| SMILES | C1(S[Co]23(SC(=C([S]2[Co]24(SC(=C(S2)c2ccc(OC)cc2)c2ccc(cc2)OC)SC(=C([S]34)c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(cc2)OC)SC=1c1ccc(OC)cc1)c1ccc(cc1)OC.[N+](CC)(CC)(CC)CC.C(Cl)Cl.ClCCl.[N+](CC)(CC)(CC)CC.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Reversible, Electrochemically Controlled Binding of Phosphine to Iron and Cobalt Bis(dithiolene) Complexes |
| Authors of publication | Rongmin Yu; Kuppuswamy Arumugam; Ashok Manepalli; Yvon Tran; Russell Schmehl; Heiko Jacobsen; James P. Donahue |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 5131 - 5133 |
| a | 18.102 ± 0.006 Å |
| b | 14.679 ± 0.005 Å |
| c | 17.638 ± 0.006 Å |
| α | 90° |
| β | 105.69 ± 0.007° |
| γ | 90° |
| Cell volume | 4512 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1006 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179117 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/79. |
4307972.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4307972.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4307972.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4307972.cif |
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