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Information card for entry 2228216
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| Coordinates | 2228216.cif |
|---|---|
| Structure factors | 2228216.hkl |
| Original IUCr paper | HTML |
| Chemical name | [<i>N</i>,<i>N</i>-Bis(2,6-diisopropylphenyl)pent-2-ene- 2,4-diiminato(1-)]bis(1,2,4-diazaphosphol-1-yl)aluminium(III) |
|---|---|
| Formula | C33 H45 Al N6 P2 |
| Calculated formula | C33 H45 Al N6 P2 |
| SMILES | [Al]1(N2N=CP=C2)(N2N=CP=C2)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | [<i>N</i>,<i>N</i>-Bis(2,6-diisopropylphenyl)pent-2-ene-2,4-diiminato(1{-})]bis(1,2,4-diazaphosphol-1-yl)aluminium(III) |
| Authors of publication | Yang, Dongming; Pi, Chengfu; Ding, Yuqiang; Zheng, Wenjun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1681 |
| a | 10.578 ± 0.004 Å |
| b | 12.578 ± 0.005 Å |
| c | 13.498 ± 0.005 Å |
| α | 92.059 ± 0.005° |
| β | 98.766 ± 0.005° |
| γ | 96.516 ± 0.005° |
| Cell volume | 1760.9 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0944 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.2066 |
| Weighted residual factors for all reflections included in the refinement | 0.2242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181203 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/82. |
2228216.cif 2228216.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228216.cif 2228216.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228216.cif 2228216.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. | 2228216.cif 2228216.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228216.cif 2228216.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228216.cif 2228216.hkl |
| 5764 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228212, 2228213, 2228214, 2228215, 2228216, 2228217, 2228218, 2228219, 2228220, 2228221 via cif-deposit CGI script. |
2228216.cif |
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Users of the data should acknowledge the original authors of the
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