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Information card for entry 2209613
Preview
Coordinates | 2209613.cif |
---|---|
Structure factors | 2209613.hkl |
Original IUCr paper | HTML |
Chemical name | {2-[1-(N-Benzyl-N-methylamino)ethyl]ferrocenyl- κ^2^N,C^1^}chloro(triphenylphosphine-κP)palladium(II) |
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Formula | C38 H37 Cl Fe N P Pd |
Calculated formula | C38 H37 Cl Fe N P Pd |
SMILES | [Pd]1([c]23[Fe]456789%10([cH]2[cH]4[cH]5[c]36C([N]1(C)Cc1ccccc1)C)[cH]1[cH]7[cH]8[cH]9[cH]%101)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | {2-[1-(<i>N</i>-Benzyl-<i>N</i>-methylamino)ethyl]ferrocenyl- κ^2^<i>N</i>,<i>C</i>^1^}chloro(triphenylphosphine-κ<i>P</i>)palladium(II) |
Authors of publication | Hong-Xing Wang; Feng-Ying Geng; Jian Xu; Hong-Fei Wu; Ren-Qing Gao |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 7 |
Pages of publication | m1485 - m1486 |
a | 16.878 ± 0.004 Å |
b | 16.488 ± 0.004 Å |
c | 24.107 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6709 ± 3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.0242 |
Weighted residual factors for significantly intense reflections | 0.0565 |
Weighted residual factors for all reflections included in the refinement | 0.0606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2209613.html
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Users of the data should acknowledge the original authors of the
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