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Information card for entry 4071727
Preview
| Coordinates | 4071727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H30 Fe O3 P2 |
|---|---|
| Calculated formula | C34 H30 Fe O3 P2 |
| SMILES | [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P(=O)(c1ccccc1)c1ccccc1)[c]1([cH]5[cH]6[cH]7[cH]81)P(=O)(c1ccccc1)c1ccccc1.O |
| Title of publication | Unusual Hydrogenation of Fumarate Anion Followed by Metal−Carbon Bond Formation: Synthesis and Characterization of Two Metallochelates |
| Authors of publication | Bar, Arun Kumar; Chakrabarty, Rajesh; Mukherjee, Partha Sarathi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3806 |
| a | 22.552 ± 0.006 Å |
| b | 10.59 ± 0.003 Å |
| c | 12.22 ± 0.003 Å |
| α | 90° |
| β | 95.93 ± 0.005° |
| γ | 90° |
| Cell volume | 2902.8 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1465 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.1319 |
| Weighted residual factors for all reflections included in the refinement | 0.1573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (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 4/07/17. |
4071727.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071727.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071727.cif |
| 44001 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071725, 4071726, 4071727 via cif-deposit CGI script. |
4071727.cif |
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Users of the data should acknowledge the original authors of the
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