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Information card for entry 7008469
Preview
| Coordinates | 7008469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H55 B Cl N6 O3 Rh Ru Se2 |
|---|---|
| Calculated formula | C41 H55 B Cl N6 O3 Rh Ru Se2 |
| SMILES | [Rh]123([Se]([Ru]45678([Se]1c1ccccc1)(OO4)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C)c1ccccc1)(Cl)[n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C.O1CCCC1 |
| Title of publication | Preparation of chalcogenolato-bridged dinuclear Tp*Rh-Cp*Ru complexes (Tp*= hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp*=eta(5)-pentamethylcyclopentadienyl) and binding of dioxygen to their Ru sites. |
| Authors of publication | Nagao, Shoken; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2005 |
| Journal issue | 19 |
| Pages of publication | 3166 - 3172 |
| a | 11.233 ± 0.002 Å |
| b | 19.361 ± 0.003 Å |
| c | 20.392 ± 0.003 Å |
| α | 90° |
| β | 92.5895 ± 0.0007° |
| γ | 90° |
| Cell volume | 4430.4 ± 1.2 Å3 |
| Cell temperature | 293.1 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections included in the refinement | 0.139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7008469.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7008469.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7008469.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7008469.cif |
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Users of the data should acknowledge the original authors of the
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