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Information card for entry 2238974
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| Coordinates | 2238974.cif |
|---|---|
| Structure factors | 2238974.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | [μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)] |
|---|---|
| Formula | C33 H56 Br2 N4 Rh2 |
| Calculated formula | C33 H56 Br2 N4 Rh2 |
| SMILES | [Rh]123(Br)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(CCCN1CCCN1CCCN(C1=[Rh]123(Br)[CH]4=[CH]1CC[CH]2=[CH]3CC4)C(C)C)C(C)C |
| Title of publication | [μ-3,3'-Diisopropyl-1,1'-(propane-1,3-diyl)bis(1,3-diazinan-2-ylidene)]bis[bromido(η^4^-cycloocta-1,5-diene)rhodium(I)] |
| Authors of publication | Pawar, Gajanan Manohar; Wurst, Klaus; Wang, Dongren; Buchmeiser, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | m71 - m72 |
| a | 16.4075 ± 0.0002 Å |
| b | 15.7975 ± 0.0003 Å |
| c | 27.1065 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7025.94 ± 0.19 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0469 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181889 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/89. |
2238974.cif 2238974.hkl |
| 181308 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/89. |
2238974.cif 2238974.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238974.cif 2238974.hkl |
| 104806 | 2014-03-11 | cif/ hkl/ Adding structures of 2238974 via cif-deposit CGI script. |
2238974.cif 2238974.hkl |
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