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Information card for entry 2237062
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| Coordinates | 2237062.cif |
|---|---|
| Structure factors | 2237062.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-diisopropylhydoxylaminato)- κ^2^<i>O</i>:<i>N</i>;κ^2^<i>O</i>:<i>O</i>- bis[(diisopropylhydoxylaminato-κ<i>O</i>)beryllium] |
|---|---|
| Formula | C24 H56 Be2 N4 O4 |
| Calculated formula | C24 H56 Be2 N4 O4 |
| SMILES | O1[N]([Be]([O](N(C(C)C)C(C)C)[Be]1(ON(C(C)C)C(C)C))ON(C(C)C)C(C)C)(C(C)C)C(C)C |
| Title of publication | Bis(μ-diisopropylhydoxylaminato)-κ^2^<i>O</i>:<i>N</i>;κ^2^<i>O</i>:<i>O</i>-bis[(diisopropylhydoxylaminato-κ<i>O</i>)beryllium] |
| Authors of publication | Berger, Raphael Johann Friedrich; Jana, Surajit; Monkowius, Uwe; Mitzel, Norbert Werner |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1463 |
| a | 8.2156 ± 0.0017 Å |
| b | 13.248 ± 0.003 Å |
| c | 14.317 ± 0.003 Å |
| α | 98.82 ± 0.02° |
| β | 97.42 ± 0.02° |
| γ | 102.42 ± 0.02° |
| Cell volume | 1482.4 ± 0.6 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.1557 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (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 2/23/70. |
2237062.cif 2237062.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. |
2237062.cif 2237062.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237062.cif 2237062.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. | 2237062.cif 2237062.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2237062.cif 2237062.hkl |
| 71341 | 2013-01-18 | cif/ Adding structures of 2237062 via cif-deposit CGI script. |
2237062.cif |
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Users of the data should acknowledge the original authors of the
structural data.