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Information card for entry 4505694
Preview
| Coordinates | 4505694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C43 H52 Ag2 B2 F8 N8 O2 |
|---|---|
| Calculated formula | C43 H52 Ag2 B2 F8 N8 O2 |
| SMILES | [Ag]1[N](N=C(C(=N[N]([Ag]([N](N=C(C(=N[N]1=C(C)C)c1ccccc1)c1ccccc1)=C(C)C)[OH2])=C(C)C)c1ccccc1)c1ccccc1)=C(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=C(C)C |
| Title of publication | Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials |
| Authors of publication | Patra, Goutam Kumar; Goldberg, Israel |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2003 |
| Journal volume | 3 |
| Journal issue | 3 |
| Pages of publication | 321 |
| a | 13.689 ± 0.0001 Å |
| b | 15.624 ± 0.0001 Å |
| c | 22.147 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4736.73 ± 0.06 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0264 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4505694.cif |
| 179591 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/56. |
4505694.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505694.cif |
| 53702 | 2012-04-20 | cif/ Adding structures of 4505692, 4505693, 4505694, 4505695, 4505696, 4505697, 4505698, 4505699, 4505700 via cif-deposit CGI script. |
4505694.cif |
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Users of the data should acknowledge the original authors of the
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