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Information card for entry 7029727
Preview
| Coordinates | 7029727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H75 N P Sc Si2 |
|---|---|
| Calculated formula | C47 H75 N P Sc Si2 |
| SMILES | [c]123[cH]4[c]56[c]7([cH]1[Sc]3467(C[Si](C)(C)C)(C[Si](C)(C)C)[N](C13CC4CC(C3)CC(C1)C4)=P2(c1ccccc1)c1ccccc1)C(CC5(C)C)(C)C.CCCCC |
| Title of publication | Tetrahydropentalenyl-phosphazene constrained geometry complexes of rare-earth metal alkyls. |
| Authors of publication | Hangaly, Noa K; Petrov, Alexander R; Elfferding, Michael; Harms, Klaus; Sundermeyer, Jörg |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 19 |
| Pages of publication | 7109 - 7120 |
| a | 12.2478 ± 0.0007 Å |
| b | 12.4919 ± 0.0007 Å |
| c | 15.8094 ± 0.0008 Å |
| α | 82.808 ± 0.004° |
| β | 87.696 ± 0.004° |
| γ | 84.852 ± 0.004° |
| Cell volume | 2389.1 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.843 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180003 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/97. |
7029727.cif |
| 171492 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic and _chemical_name_common tags with placeholder values from multiple entries. |
7029727.cif |
| 111191 | 2014-04-21 | cif/ Updating files of 7029727 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-12899/cifs/7029727.cif. |
7029727.cif |
| 109539 | 2014-04-16 | cif/ Adding structures of 7029725, 7029726, 7029727, 7029728, 7029729, 7029730, 7029731 via cif-deposit CGI script. |
7029727.cif |
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Users of the data should acknowledge the original authors of the
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