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Information card for entry 7002144
Preview
| Coordinates | 7002144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Bis(2,2'-bipyridine-4,4'-di(methyl propionate) (NCS)2 Ru(ii) |
|---|---|
| Chemical name | Bis(2,2'-bipyridine-4,4'-di(methyl propionate) (NCS)2 Ru(II) |
| Formula | C38 H40 N6 O8 Ru S2 |
| Calculated formula | C38 H40 N6 O8 Ru S2 |
| SMILES | C(=N[Ru]12(N=C=S)([n]3ccc(cc3c3cc(cc[n]13)CCC(=O)OC)CCC(=O)OC)[n]1ccc(cc1c1cc(cc[n]21)CCC(=O)OC)CCC(=O)OC)=S |
| Title of publication | Effect of methylene spacers on the spectral, electrochemical, and structural properties of bis(4,4′-disubstituted-2,2′-bipyridyl) ruthenium(ii) dye analogues |
| Authors of publication | Lense, Sheri; Hardcastle, Kenneth I.; MacBeth, Cora E. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 36 |
| Pages of publication | 7396 - 7401 |
| a | 29.507 ± 0.003 Å |
| b | 15.487 ± 0.002 Å |
| c | 17.678 ± 0.002 Å |
| α | 90° |
| β | 106.297 ± 0.005° |
| γ | 90° |
| Cell volume | 7753.8 ± 1.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1172 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1322 |
| Weighted residual factors for all reflections included in the refinement | 0.16 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7002144.cif |
| 179719 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/21. |
7002144.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002144.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002144.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002144.cif |
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