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Information card for entry 2237097
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| Coordinates | 2237097.cif |
|---|---|
| Structure factors | 2237097.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-chlorido-bis({8-[bis(naphthalen-1-yl)phosphanyl]naphthalen-1-yl- κ^2^<i>C</i>^1^,<i>P</i>}palladium(II)) dichloromethane disolvate |
|---|---|
| Formula | C62 H44 Cl6 P2 Pd2 |
| Calculated formula | C62 H44 Cl6 P2 Pd2 |
| SMILES | c12c3c([Pd]4([P]1(c1cccc5ccccc15)c1cccc5c1cccc5)[Cl][Pd]1(c5c6c([P]1(c1cccc7ccccc17)c1cccc7ccccc17)cccc6ccc5)[Cl]4)cccc3ccc2.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Di-μ-chlorido-bis({8-[bis(naphthalen-1-yl)phosphanyl]naphthalen-1-yl-κ^2^<i>C</i>^1^,<i>P</i>}palladium(II)) dichloromethane disolvate |
| Authors of publication | Davis, Wade L.; Muller, Alfred |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1565 - m1566 |
| a | 9.4823 ± 0.0008 Å |
| b | 11.4272 ± 0.0009 Å |
| c | 12.343 ± 0.001 Å |
| α | 80.652 ± 0.002° |
| β | 76.592 ± 0.002° |
| γ | 89.013 ± 0.002° |
| Cell volume | 1283.42 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1468 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181292 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/70. |
2237097.cif 2237097.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237097.cif 2237097.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2237097.cif 2237097.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2237097.cif 2237097.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2237097.cif 2237097.hkl |
| 71377 | 2013-01-18 | cif/ Adding structures of 2237097 via cif-deposit CGI script. |
2237097.cif |
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Users of the data should acknowledge the original authors of the
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