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Information card for entry 7001361
Preview
| Coordinates | 7001361.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H104 B2 F8 Fe4 N16 O12 Pd |
|---|---|
| Calculated formula | C96 H104 B2 F8 Fe4 N16 O12 Pd |
| SMILES | [Pd]([n]1ccc(NC(=O)[C@@H]2N(C(=O)[C@@H](NC(=O)[c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[cH]3[cH]8[cH]9[cH]%10[cH]%113)C)CCC2)cc1)([n]1ccc(NC(=O)[C@@H]2N(C(=O)[C@@H](NC(=O)[c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[cH]3[cH]8[cH]9[cH]%10[cH]%113)C)CCC2)cc1)([n]1ccc(NC(=O)[C@@H]2N(C(=O)[C@@H](NC(=O)[c]34[cH]5[Fe]6789%10%113([cH]4[cH]6[cH]57)[cH]3[cH]%11[cH]%10[cH]9[cH]83)C)CCC2)cc1)[n]1ccc(NC(=O)[C@@H]2N(C(=O)[C@@H](NC(=O)[c]34[cH]5[Fe]6789%10%113([cH]5[cH]6[cH]47)[cH]3[cH]%11[cH]%10[cH]9[cH]83)C)CCC2)cc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | β-Turn-structure-assembled palladium complexes by complexation-induced self-organization of ferrocene‒dipeptide conjugates |
| Authors of publication | Moriuchi, Toshiyuki; Fujiwara, Takashi; Hirao, Toshikazu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 22 |
| Pages of publication | 4286 - 4288 |
| a | 14.6365 ± 0.0001 Å |
| b | 24.1369 ± 0.0002 Å |
| c | 16.883 ± 0.0001 Å |
| α | 90° |
| β | 107.43 ± 0.0008° |
| γ | 90° |
| Cell volume | 5690.56 ± 0.07 Å3 |
| Cell temperature | 277.1 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.2388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7001361.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001361.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001361.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001361.cif |
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Users of the data should acknowledge the original authors of the
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