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Information card for entry 7019176
Preview
| Coordinates | 7019176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H80 Cl4 F6 O11 P2 Pd S2 |
|---|---|
| Calculated formula | C71 H80 Cl4 F6 O11 P2 Pd S2 |
| Title of publication | A bisphosphonite calix[5]arene ligand that stabilizes η(6) arene coordination to palladium. |
| Authors of publication | Rios, Beatriz E.; Sood, Paul; Klichko, Yaroslav; Koutha, Mohan; Powell, Douglas; Lattman, Michael |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 22 |
| Pages of publication | 6677 - 6682 |
| a | 17.467 ± 0.005 Å |
| b | 15.883 ± 0.004 Å |
| c | 25.891 ± 0.007 Å |
| α | 90° |
| β | 91.334 ± 0.014° |
| γ | 90° |
| Cell volume | 7181 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0907 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 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. |
7019176.cif |
| 179895 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/91. |
7019176.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019176.cif |
| 60458 | 2012-06-14 | cif/ Adding structures of 7019175, 7019176, 7019177 via cif-deposit CGI script. |
7019176.cif |
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