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Information card for entry 4310972
Preview
| Coordinates | 4310972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H71 B2 Cu2 F8 N3 P4 |
|---|---|
| Calculated formula | C65 H71 B2 Cu2 F8 N3 P4 |
| SMILES | [Cu]12([P](c3ccccc3)(c3ccccc3)C[P]([Cu]([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)(C#[N]C(C)(C)C)C2=NC(C)(C)C)(c1ccccc1)c1ccccc1)C#[N]C(C)(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | Preparation and Solid-State Characterization of Mixed-Ligand Coordination/Organometallic Oligomers and Polymers of Copper(I) and Silver(I) Using Diphosphine and Mono- and Diisocyanide Ligands |
| Authors of publication | Éric Fournier; Frédéric Lebrun; Marc Drouin; Andreas Decken; Pierre D. Harvey |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 3127 - 3135 |
| a | 20.395 ± 0.003 Å |
| b | 15.287 ± 0.002 Å |
| c | 21.022 ± 0.004 Å |
| α | 90° |
| β | 92.347 ± 0.014° |
| γ | 90° |
| Cell volume | 6548.7 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1997 |
| Weighted residual factors for all reflections included in the refinement | 0.2159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.5406 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4310972.cif |
| 179148 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/09. |
4310972.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4310972.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4310972.cif |
| 2464 | 2010-11-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4310972 via cif-deposit CGI script. |
4310972.cif |
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