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Information card for entry 2018478
Preview
| Coordinates | 2018478.cif |
|---|---|
| Structure factors | 2018478.hkl |
| Original IUCr paper | HTML |
| Chemical name | aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7- triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate |
|---|---|
| Formula | C21 H39 Cl2 N5 O13 Ru |
| Calculated formula | C21 H39 Cl2 N5 O13 Ru |
| SMILES | c1cc(cc2c3cc(cc[n]3[Ru]34([n]12)([N]1(CC[N]3(CC[N]4(CC1)C)C)C)[OH2])OC)OC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O |
| Title of publication | Chlorido(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) perchlorate acetonitrile disolvate and aqua(4,4'-dimethoxy-2,2'-bipyridine)(1,4,7-trimethyl-1,4,7-triazacyclononane)ruthenium(II) bis(perchlorate) dihydrate |
| Authors of publication | Vera, Daniela B.; Osa Codesido, Nicolás; De Candia, Ariel G.; Alborés, Pablo; Slep, Leonardo D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | m127 - m130 |
| a | 8.1705 ± 0.0006 Å |
| b | 10.3825 ± 0.0011 Å |
| c | 18.1967 ± 0.0015 Å |
| α | 92.464 ± 0.007° |
| β | 96.74 ± 0.007° |
| γ | 103.386 ± 0.008° |
| Cell volume | 1487.4 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0748 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1267 |
| Weighted residual factors for all reflections included in the refinement | 0.1441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180853 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/84. |
2018478.cif 2018478.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018478.cif 2018478.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018478.cif 2018478.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018478.cif 2018478.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2018478.cif 2018478.hkl |
| 60092 | 2012-06-14 | cif/ Adding structures of 2018477, 2018478 via cif-deposit CGI script. |
2018478.cif |
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