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Information card for entry 2232240
Preview
| Coordinates | 2232240.cif |
|---|---|
| Structure factors | 2232240.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-diethylphosphido-κ^2^<i>P</i>:<i>P</i>)bis[bis(2,4,6- trimethylphenyl)indium(III)] |
|---|---|
| Formula | C44 H64 In2 P2 |
| Calculated formula | C44 H64 In2 P2 |
| SMILES | c1(c(cc(cc1C)C)C)[In]1([P](CC)(CC)[In](c2c(cc(cc2C)C)C)([P]1(CC)CC)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Bis(μ-diethylphosphido-κ^2^<i>P</i>:<i>P</i>)bis[bis(2,4,6-trimethylphenyl)indium(III)] |
| Authors of publication | Briand, Glen G.; Decken, Andreas; Knackstedt, Dane A.; Martin, Caleb D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1578 |
| a | 22.323 ± 0.004 Å |
| b | 15.494 ± 0.004 Å |
| c | 14.331 ± 0.003 Å |
| α | 90° |
| β | 120.618 ± 0.004° |
| γ | 90° |
| Cell volume | 4265.6 ± 1.6 Å3 |
| Cell temperature | 198 ± 1 K |
| Ambient diffraction temperature | 198 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (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 2/23/22. |
2232240.cif 2232240.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. |
2232240.cif 2232240.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232240.cif 2232240.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. | 2232240.cif 2232240.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232240.cif 2232240.hkl |
| 30889 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232240 via cif-deposit CGI script. |
2232240.cif |
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Users of the data should acknowledge the original authors of the
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