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Information card for entry 4070487
Preview
| Coordinates | 4070487.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H26 Fe4 O11 P2 |
|---|---|
| Calculated formula | C44 H26 Fe4 O11 P2 |
| SMILES | [Fe]123([Fe]45([Fe]61([Fe]4([O]356)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](c1cccc3cccc([P]2(c2ccccc2)c2ccccc2)c13)(c1ccccc1)c1ccccc1)C#[O] |
| Title of publication | Synthesis and Molecular Structure of [Fe4(CO)10(μ4-O)(κ2-dppn)] (dppn = 1,8-bis(diphenylphosphino)naphthalene): A Missing Piece in the [M4(CO)12(μ4-E)]n−(M = Fe, Ru; E = C, N, O;n= 2, 1, 0) Puzzle |
| Authors of publication | Ghosh, Shishir; Hogarth, Graeme; Kabir, Shariff E.; Miah, Abdul Latif; Salassa, Luca; Sultana, Sharmin; Garino, Claudio |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 24 |
| Pages of publication | 7047 |
| a | 11.233 ± 0.002 Å |
| b | 17.597 ± 0.004 Å |
| c | 21.277 ± 0.004 Å |
| α | 90° |
| β | 100.173 ± 0.004° |
| γ | 90° |
| Cell volume | 4139.6 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0672 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178593 (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 4/07/04. |
4070487.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070487.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070487.cif |
| 40736 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070487 via cif-deposit CGI script. |
4070487.cif |
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