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Information card for entry 7034456
Preview
| Coordinates | 7034456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H59 B2 F8 N5 Ni P4 |
|---|---|
| Calculated formula | C66 H59 B2 F8 N5 Ni P4 |
| Title of publication | Covalent attachment of diphosphine ligands to glassy carbon electrodes via Cu-catalyzed alkyne-azide cycloaddition. Metallation with Ni(ii). |
| Authors of publication | Das, Atanu K.; Engelhard, Mark H.; Lense, Sheri; Roberts, John A. S.; Bullock, R. Morris |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 27 |
| Pages of publication | 12225 - 12233 |
| a | 40.88 ± 0.004 Å |
| b | 18.1318 ± 0.0016 Å |
| c | 18.7843 ± 0.0016 Å |
| α | 90° |
| β | 102.654 ± 0.005° |
| γ | 90° |
| Cell volume | 13585 ± 2 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1677 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.1789 |
| Weighted residual factors for all reflections included in the refinement | 0.2096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7034456.cif |
| 288505 | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
7034456.cif |
| 180050 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/44. |
7034456.cif |
| 143646 | 2015-07-11 | cif/ Updating files of 7034456 Original log message: Adding full bibliography for 7034456.cif. |
7034456.cif |
| 134026 | 2015-03-18 | cif/ Adding structures of 7034456 via cif-deposit CGI script. |
7034456.cif |
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