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Information card for entry 4069427
Preview
| Coordinates | 4069427.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H27 B2 Mn N4 O3 |
|---|---|
| Calculated formula | C16 H27 B2 Mn N4 O3 |
| SMILES | [Mn]1234(C#[O])(C#[O])(C#[O])[c]5([cH]4[cH]3[c]2([cH]15)B(N(C)C)N(C)C)B(N(C)C)N(C)C |
| Title of publication | Photochemistry of Cymantrenyl Scorpionates: Formation of a Novel Tritopic Cyclopentadienyl/Scorpionate Hybrid Ligand |
| Authors of publication | Kunz, Kerstin; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 10 |
| Pages of publication | 3079 |
| a | 16.1614 ± 0.0011 Å |
| b | 11.1729 ± 0.0005 Å |
| c | 11.6984 ± 0.0009 Å |
| α | 90° |
| β | 102.201 ± 0.006° |
| γ | 90° |
| Cell volume | 2064.7 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178583 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/94. |
4069427.cif |
| 132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4069427.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069427.cif |
| 40292 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069427, 4069428, 4069429, 4069430, 4069431, 4069432 via cif-deposit CGI script. |
4069427.cif |
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Users of the data should acknowledge the original authors of the
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