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Information card for entry 2240381
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| Coordinates | 2240381.cif |
|---|---|
| Structure factors | 2240381.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,2'-bipyridine)[<i>N</i>'-(quinolin-2-ylmethylidene)pyridine-\ 2-carbohydrazide]ruthenium(II) bis(tetrafluoridoborate) dichloromethane trisolvate |
|---|---|
| Formula | C39 H34 B2 Cl6 F8 N8 O Ru |
| Calculated formula | C39 H34 B2 Cl6 F8 N8 O Ru |
| SMILES | [Ru]123([O]=C(N[N]1=Cc1nc4ccccc4cc1)c1ncccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.ClCCl.ClCCl.ClCCl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Crystal structure of bis(2,2'-bipyridine)[<i>N</i>'-(quinolin-2-ylmethylidene)pyridine-2-carbohydrazide]ruthenium(II) bis(tetrafluoridoborate) dichloromethane trisolvate |
| Authors of publication | Mori, Asami; Suzuki, Takayoshi; Nakajima, Kiyohiko |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 142 - 145 |
| a | 11.0165 ± 0.0012 Å |
| b | 13.2508 ± 0.0015 Å |
| c | 16.4285 ± 0.0019 Å |
| α | 77.812 ± 0.004° |
| β | 76.924 ± 0.004° |
| γ | 88.367 ± 0.004° |
| Cell volume | 2282.9 ± 0.4 Å3 |
| Cell temperature | 192 ± 2 K |
| Ambient diffraction temperature | 192 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0806 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1955 |
| Weighted residual factors for all reflections included in the refinement | 0.2076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240381.cif 2240381.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240381.cif 2240381.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240381.cif 2240381.hkl |
| 129530 | 2015-01-11 | cif/ hkl/ Adding structures of 2240381 via cif-deposit CGI script. |
2240381.cif 2240381.hkl |
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Users of the data should acknowledge the original authors of the
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