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Information card for entry 2022576
Preview
| Coordinates | 2022576.cif |
|---|---|
| Structure factors | 2022576.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-1,1'-Bis(bis{2-[(dimethylamino)methyl]phenyl}phosphanyl)ferrocene-κ^2^<i>N</i>,<i>P</i>:κ^2^<i>N</i>',<i>P</i>']bis[dichloridozinc(II)] dichloromethane monosolvate |
|---|---|
| Formula | C47 H58 Cl6 Fe N4 P2 Zn2 |
| Calculated formula | C47 H58 Cl6 Fe N4 P2 Zn2 |
| Title of publication | Synthesis, structural, characterization and Hirshfeld analysis of a bisselenide and a zinc complex of a new hemilabile ferrocenylbisphosphane, [Fe{C~5~H~4~P(C~6~H~4~CH~2~NMe~2~-<i>o</i>)~2~}~2~] |
| Authors of publication | Kunchur, Harish S.; Mondal, Dipanjan; Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 11 |
| Pages of publication | 725 - 733 |
| a | 10.115 ± 0.0013 Å |
| b | 10.7515 ± 0.0014 Å |
| c | 26.637 ± 0.003 Å |
| α | 96.791 ± 0.002° |
| β | 91.486 ± 0.002° |
| γ | 116.491 ± 0.002° |
| Cell volume | 2564.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273082 (current) | 2022-02-22 | cif/ hkl/ Adding structures of 2022575, 2022576 via cif-deposit CGI script. |
2022576.cif 2022576.hkl |
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