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Information card for entry 4029730
Preview
| Coordinates | 4029730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H70 F12 N8 O20 Ru4 S4 |
|---|---|
| Calculated formula | C66 H70 F12 N8 O20 Ru4 S4 |
| SMILES | [Ru]1234567([n]8cn(c9c(n%10c[n]([Ru]%11%12%13%14%15%16(OC(=[O]1)C(=[O]2)O%11)[c]1([cH]%16[cH]%15[c]%14([cH]%13[cH]%121)C)C(C)C)cc%10)cc1n2c[n]([Ru]%10%11%12%13%14%15([O]=C%16O[Ru]%17%18%19%20%21([n]%22cn(c1c9)cc%22)([O]=C%16O%10)[c]1([cH]%17[cH]%18[c]%19([cH]%20[cH]%211)C)C(C)C)[c]1([cH]%11[cH]%12[c]%13([cH]%14[cH]%151)C)C(C)C)cc2)cc8)[c]1([cH]7[cH]6[c]5([cH]4[cH]31)C)C(C)C.S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)(C(F)(F)F)[O-] |
| Title of publication | Self-assembly of Ru(4) and Ru(8) assemblies by coordination using organometallic Ru(II)(2) precursors: Synthesis, characterization and properties. |
| Authors of publication | Shanmugaraju, Sankarasekaran; Samanta, Dipak; Mukherjee, Partha Sarathi |
| Journal of publication | Beilstein journal of organic chemistry |
| Year of publication | 2012 |
| Journal volume | 8 |
| Pages of publication | 313 - 322 |
| a | 27.975 ± 0.005 Å |
| b | 27.975 ± 0.005 Å |
| c | 48.786 ± 0.017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 38180 ± 16 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.3104 |
| Residual factor for significantly intense reflections | 0.1152 |
| Weighted residual factors for significantly intense reflections | 0.2819 |
| Weighted residual factors for all reflections included in the refinement | 0.4337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178476 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/97. |
4029730.cif |
| 120256 | 2014-07-14 | cif/ Adding structures of 4029730 via cif-deposit CGI script. |
4029730.cif |
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Users of the data should acknowledge the original authors of the
structural data.