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Information card for entry 7035416
Preview
| Coordinates | 7035416.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H55 Br2 Fe N3 O5 P2 |
|---|---|
| Calculated formula | C46 H55 Br2 Fe N3 O5 P2 |
| Title of publication | Synthesis and reactivity of TADDOL-based chiral Fe(ii) PNP pincer complexes-solution equilibria between κ(2)P,N- and κ(3)P,N,P-bound PNP pincer ligands. |
| Authors of publication | Holzhacker, Christian; Stöger, Berthold; Carvalho, Maria Deus; Ferreira, Liliana P.; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Realista, Sara; Gil, Adrià; Calhorda, Maria José; Müller, Danny; Kirchner, Karl |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 29 |
| Pages of publication | 13071 - 13086 |
| a | 9.1105 ± 0.0005 Å |
| b | 10.3931 ± 0.0006 Å |
| c | 24.1374 ± 0.0014 Å |
| α | 93.0205 ± 0.0019° |
| β | 93.3464 ± 0.0018° |
| γ | 91.2982 ± 0.0019° |
| Cell volume | 2277.7 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0553 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0347 |
| Weighted residual factors for all reflections included in the refinement | 0.0379 |
| Goodness-of-fit parameter for significantly intense reflections | 0.93 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| 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 |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7035416.cif |
| 153203 | 2015-08-08 | cif/ Updating files of 7035416, 7035417, 7035418 Original log message: Adding full bibliography for 7035416--7035418.cif. |
7035416.cif |
| 139244 | 2015-06-16 | cif/ Adding structures of 7035416, 7035417, 7035418 via cif-deposit CGI script. |
7035416.cif |
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