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Information card for entry 4066195
Preview
| Coordinates | 4066195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 B F4 Fe2 N2 O3 P |
|---|---|
| Calculated formula | C20 H24 B F4 Fe2 N2 O3 P |
| SMILES | [Fe]123456([Fe]789%10([P]1(NN=C)C1CCCCC1)(C#[O])(C2=O)[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61.[B](F)(F)(F)[F-] |
| Title of publication | Reactions of the Phosphinidene-Bridged Complexes [Fe2(η5-C5H5)2(μ-PR)(μ-CO)(CO)2] (R = Cy, Ph, 2,4,6-C6H2tBu3) with Diazoalkanes. Formation and Rearrangements of Phosphadiazadiene-Bridged Derivatives† |
| Authors of publication | Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5140 |
| a | 10.723 ± 0.002 Å |
| b | 12.889 ± 0.002 Å |
| c | 16.683 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2305.7 ± 0.7 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0496 |
| Weighted residual factors for all reflections included in the refinement | 0.051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4066195.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066195.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066195.cif |
| 33826 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066194, 4066195, 4066196, 4066197, 4066198 via cif-deposit CGI script. |
4066195.cif |
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Users of the data should acknowledge the original authors of the
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