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Information card for entry 8102266
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| Coordinates | 8102266.cif |
|---|
| Formula | C39 H34 Cl N6 Ru |
|---|---|
| Calculated formula | C39 H34 Cl N6 Ru |
| SMILES | [Ru]12(Cl)([N](=CN1c1ccccc1)c1ccccc1)([N](=CN2c1ccccc1)c1ccccc1)[N](=CNc1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of chlorido-bis(N,N'-diphenyl-formamidinato)-N,N'-diphenylformamidinoruthenium(III), RuCl(PhNCHNPh)2(PhNCHNHPh) |
| Authors of publication | Santiago Herrero; Reyes Jiménez-Aparicio; M. Rosario Torres; Francisco A. Urbanos |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 3 |
| Pages of publication | 219 |
| a | 9.9316 ± 0.0007 Å |
| b | 10.27 ± 0.0007 Å |
| c | 18.2178 ± 0.0014 Å |
| α | 75.16 ± 0.001° |
| β | 77.183 ± 0.001° |
| γ | 83.245 ± 0.002° |
| Cell volume | 1747.8 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0659 |
| Weighted residual factors for all reflections included in the refinement | 0.0731 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102266.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102266.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102266.cif |
| 13005 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102266 via cif-deposit CGI script. |
8102266.cif |
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Users of the data should acknowledge the original authors of the
structural data.