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Information card for entry 2231877
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| Coordinates | 2231877.cif |
|---|---|
| Structure factors | 2231877.hkl |
| Original IUCr paper | HTML |
| Common name | 1327 RASC057b PdCl2FcPP+2dmso |
|---|---|
| Chemical name | <i>rac</i>-Dichlorido({(diphenylphosphanyl)[2-(diphenylphosphanyl) phenyl]methyl}ferrocene-κ^2^<i>P</i>,<i>P</i>')palladium(II) dimethylsulfoxide disolvate |
| Formula | C45 H46 Cl2 Fe O2 P2 Pd S2 |
| Calculated formula | C44.9932 H46 Cl2 Fe O1.9966 P2 Pd S1.9966 |
| Title of publication | <i>rac</i>-Dichlorido(1-{(diphenylphosphanyl)[2-(diphenylphosphanyl)phenyl]methyl}ferrocene-κ^2^<i>P</i>,<i>P</i>')palladium(II) dimethyl sulfoxide disolvate |
| Authors of publication | Schuecker, Raffael; Weissensteiner, Walter; Mereiter, Kurt |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1377 - m1378 |
| a | 10.9878 ± 0.0008 Å |
| b | 11.5275 ± 0.0008 Å |
| c | 17.1405 ± 0.0012 Å |
| α | 78.72 ± 0.002° |
| β | 81.796 ± 0.002° |
| γ | 78.143 ± 0.002° |
| Cell volume | 2071.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0223 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0542 |
| Weighted residual factors for all reflections included in the refinement | 0.0548 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181240 (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 2/23/18. |
2231877.cif 2231877.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. |
2231877.cif 2231877.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231877.cif 2231877.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. | 2231877.cif 2231877.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231877.cif 2231877.hkl |
| 29118 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231877 via cif-deposit CGI script. |
2231877.cif |
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