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Information card for entry 4064151
Preview
| Coordinates | 4064151.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H31 Fe Mn Mo N O7 P |
|---|---|
| Calculated formula | C34 H31 Fe Mn Mo N O7 P |
| SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Fe]16782345[C]2(c3ccccc3)=[C]1([C]6(=[C]17[P]82[Mo](C#[O])(C#[O])(C#[O])(C#[O])[N]23[C]4(C1)=[CH]1[CH]5=[CH]2[Mn]3415(C#[O])(C#[O])C#[O])C)C)C)C)C)C |
| Title of publication | A New P,N-Chelating Ligand Combining Phosphaferrocene and Azacymantrene Units |
| Authors of publication | Tian, Rongqiang; Escobar, Aholibama; Mathey, François |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1738 |
| a | 20.6389 ± 0.0019 Å |
| b | 7.6989 ± 0.0007 Å |
| c | 42.255 ± 0.004 Å |
| α | 90° |
| β | 93.509 ± 0.005° |
| γ | 90° |
| Cell volume | 6701.6 ± 1.1 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0716 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.0924 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178535 (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 4/06/41. |
4064151.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064151.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064151.cif |
| 32802 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064151 via cif-deposit CGI script. |
4064151.cif |
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