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Information card for entry 8102281
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| Coordinates | 8102281.cif |
|---|
| Common name | Chloro[2-{1-[N-methyl-N-(4-methoxybenzyl)-amino]ethyl} ferrocenyl-kappa^2^N,C^1^](triphenylphosphine-kappaP)palladium(II) |
|---|---|
| Formula | C39 H41 Cl Fe N O2 P Pd |
| Calculated formula | C39 H39 Cl Fe N O2 P Pd |
| Title of publication | Crystal structure of chloro(2-{1-[N-methyl-N-(4-methoxybenzyl)-amino]ethyl}ferrocenyl-κ2N,C1)(triphenylphosphine- κP)palladium(II) monohydrate, [FePd(C5H5)(C16H19NO)Cl(PPh3)] · H2O |
| Authors of publication | Ming Yue; Long-Ming Xiang; Yue Zhou |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 3 |
| Pages of publication | 242 |
| a | 9.971 ± 0.002 Å |
| b | 23.823 ± 0.005 Å |
| c | 17.396 ± 0.004 Å |
| α | 90° |
| β | 100.15 ± 0.03° |
| γ | 90° |
| Cell volume | 4067.6 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0952 |
| Residual factor for significantly intense reflections | 0.0744 |
| Weighted residual factors for significantly intense reflections | 0.2097 |
| Weighted residual factors for all reflections included in the refinement | 0.2242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102281.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102281.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102281.cif |
| 13020 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102281 via cif-deposit CGI script. |
8102281.cif |
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