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Information card for entry 4073547
Preview
| Coordinates | 4073547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H45 B K Mn N4 O8 |
|---|---|
| Calculated formula | C33 H45 B K Mn N4 O8 |
| SMILES | [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[Mn]12345(C#[O])(C#[O])[n]6n([B](C)([c]71[cH]2[cH]3[cH]4[cH]57)n1nccc1)ccc6.c1(ccccc1)C |
| Title of publication | Mn(CO)2Complexes of Cyclopentadienyl/Scorpionate Hybrid Ligands |
| Authors of publication | Kunz, Kerstin; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 18 |
| Pages of publication | 4663 |
| a | 10.3349 ± 0.0007 Å |
| b | 10.4943 ± 0.0007 Å |
| c | 18.034 ± 0.0012 Å |
| α | 82.379 ± 0.006° |
| β | 76.52 ± 0.005° |
| γ | 76.384 ± 0.005° |
| Cell volume | 1842.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178624 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/35. |
4073547.cif |
| 132087 | 2015-02-19 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'. |
4073547.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073547.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073547.cif |
| 46410 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073547 via cif-deposit CGI script. |
4073547.cif |
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