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Information card for entry 2237234
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| Coordinates | 2237234.cif |
|---|---|
| Structure factors | 2237234.hkl |
| Original IUCr paper | HTML |
| Common name | [(L){Rh(COD)}~2~][PF~6~]~2~ (L = bis{4,5-bis(1-methylene-3- methylimidazolidene)}benzo-18-crown-6; COD = 1,5-cyclooctadiene) |
|---|---|
| Chemical name | (μ-3,3',3'',3'''-{[2,5,8,15,18,21- Hexaoxatricyclo[20.4.0.0^9,14^]hexacosa-1(22),9,11,13,23,25-hexaene- 11,12,24,25-tetrayl]tetrakis(methylene)}tetrakis(1-methyl-1<i>H</i>-imidazol- 2-yl))bis[(η^4^-cycloocta-1,4-diene)rhodium(I)] bis(hexafluoridophosphate) acetonitrile sesquisolvate dihydrate |
| Formula | C59 H74.5 F12 N9.5 O8 P2 Rh2 |
| Calculated formula | C59 H74.5 F12 N9.5 O8 P2 Rh2 |
| Title of publication | A dimer of bis(N-heterocyclic carbene)rhodium(I) centres spanned by a dibenzo-18-crown-6 bridge from synchrotron radiation |
| Authors of publication | Shrestha, Sumi; Bhadbhade, Mohan; Gimbert-Suriñach, Carolina; Colbran, Stephen B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 1 |
| Pages of publication | m47 - m48 |
| a | 10.51 ± 0.002 Å |
| b | 15.63 ± 0.003 Å |
| c | 23.28 ± 0.005 Å |
| α | 104.69 ± 0.03° |
| β | 90.2 ± 0.03° |
| γ | 109.58 ± 0.03° |
| Cell volume | 3468.9 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1588 |
| Weighted residual factors for all reflections included in the refinement | 0.1642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.333 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181294 (current) | 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 2/23/72. |
2237234.cif 2237234.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. |
2237234.cif 2237234.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237234.cif 2237234.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. | 2237234.cif 2237234.hkl |
| 75609 | 2013-03-10 | hkl/ (saulius@koala.ibt.lt) Adding newly assigned range 2 Fobs files. |
2237234.cif 2237234.hkl |
| 73463 | 2013-02-20 | cif/ Adding structures of 2237234 via cif-deposit CGI script. |
2237234.cif |
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Users of the data should acknowledge the original authors of the
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