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Information card for entry 7043678
Preview
| Coordinates | 7043678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C101 H90 Ag2 F12 Fe4 N4 O3 P4 Sb2 |
|---|---|
| Calculated formula | C101 H90 Ag2 F12 Fe4 N4 O3 P4 Sb2 |
| SMILES | F[Sb](F)(F)(F)(F)[F-].[N]1C#[Ag]23[P]([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[c]5([cH]4[cH]9[cH]%10[cH]%115)[N]#C[Ag]([P](c4ccccc4)([c]45[cH]6[cH]7[cH]8[cH]4[Fe]49%10%115678[c]51[cH]4[cH]9[cH]%10[cH]%115)c1ccccc1)([P]([c]14[cH]5[cH]6[cH]7[cH]1[Fe]189%104567[c]4([N]#C3)[cH]1[cH]8[cH]9[cH]%104)(c1ccccc1)c1ccccc1)C#[N][c]13[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)C.C(=O)(C)C.F[Sb](F)(F)(F)(F)[F-].C(=O)(C)C |
| Title of publication | Synthesis and characterization of 1'-(diphenylphosphino)-1-isocyanoferrocene, an organometallic ligand combining two different soft donor moieties, and its Group 11 metal complexes |
| Authors of publication | Skoch, Karel; Cisarova, Ivana; Schulz, Jiri; Siemeling, Ulrich; Stepnicka, Petr |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 29.4021 ± 0.0005 Å |
| b | 21.8753 ± 0.0004 Å |
| c | 18.7554 ± 0.0003 Å |
| α | 90° |
| β | 127.17 ± 0.0005° |
| γ | 90° |
| Cell volume | 9612.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198797 (current) | 2017-07-19 | cif/ Adding structures of 7043672, 7043673, 7043674, 7043675, 7043676, 7043677, 7043678, 7043679, 7043680, 7043681, 7043682 via cif-deposit CGI script. |
7043678.cif |
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Users of the data should acknowledge the original authors of the
structural data.