Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (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 2/23/43. |
2234349.cif 2234349.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. |
2234349.cif 2234349.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234349.cif 2234349.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. | 2234349.cif 2234349.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234349.cif 2234349.hkl |
| 55620 | 2012-05-05 | cif/ Adding structures of 2234349 via cif-deposit CGI script. |
2234349.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.