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Information card for entry 2234349
Preview
Coordinates | 2234349.cif |
---|---|
Structure factors | 2234349.hkl |
Original IUCr paper | HTML |
Chemical name | Dichloridobis[(ferrocenylmethylidene)(furan-2-ylmethyl)amine-κ<i>N</i>] palladium(II) |
---|---|
Formula | C32 H30 Cl2 Fe2 N2 O2 Pd |
Calculated formula | C32 H30 Cl2 Fe2 N2 O2 Pd |
SMILES | C([c]12[cH]3[cH]4[Fe]5678913([cH]1[cH]8[cH]7[cH]6[cH]51)[cH]2[cH]49)=[N](Cc1occc1)[Pd]([N](=C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)Cc1occc1)(Cl)Cl |
Title of publication | Dichloridobis[(ferrocenylmethylidene)(furan-2-ylmethyl)amine-κ<i>N</i>]palladium(II) |
Authors of publication | Motswainyana, William M.; Onani, Martin O.; Lalancette, Roger A. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 4 |
Pages of publication | m387 |
a | 12.2113 ± 0.0007 Å |
b | 7.3439 ± 0.0005 Å |
c | 16.365 ± 0.001 Å |
α | 90° |
β | 100.616 ± 0.004° |
γ | 90° |
Cell volume | 1442.47 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.071 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.109 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/2234349.html
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Users of the data should acknowledge the original authors of the
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