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Information card for entry 2240113
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| Coordinates | 2240113.cif |
|---|---|
| Structure factors | 2240113.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)imidazolido-κ<i>N</i>]bis(tri-<i>n</i>-butylphosphane-κ<i>P</i>)rhodium(III) |
|---|---|
| Formula | C30 H59 Cl2 N4 P2 Rh |
| Calculated formula | C30 H59 Cl2 N4 P2 Rh |
| SMILES | [Rh]1(n2c(ncc2)c2[n]1cc[nH]2)(Cl)(Cl)([P](CCCC)(CCCC)CCCC)[P](CCCC)(CCCC)CCCC |
| Title of publication | Crystal structure of dichlorido[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)imidazolato-κ<i>N</i>]bis(tri-<i>n</i>-butylphosphane-κ<i>P</i>)rhodium(III) |
| Authors of publication | Jin-Long; Ebihara, Masahiro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 362 - 364 |
| a | 11.969 ± 0.002 Å |
| b | 18.725 ± 0.003 Å |
| c | 16.894 ± 0.003 Å |
| α | 90° |
| β | 97.233 ± 0.003° |
| γ | 90° |
| Cell volume | 3756.1 ± 1.1 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240113.cif 2240113.hkl |
| 181321 | 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 2/24/01. |
2240113.cif 2240113.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. |
2240113.cif 2240113.hkl |
| 125895 | 2014-10-26 | cif/ hkl/ Adding structures of 2240113 via cif-deposit CGI script. |
2240113.cif 2240113.hkl |
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Users of the data should acknowledge the original authors of the
structural data.