Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2238510
Preview
| Coordinates | 2238510.cif |
|---|---|
| Structure factors | 2238510.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[6,8,22,24,34,36-hexamethyl-33,35-diaza-3,11,19,27-tetraazoniapentacyclo[27.3.1.1^5,9^.1^13,17^.1^21,25^]hexatriaconta-1(33),5,7,9(34),13,15,17(35),21,23,25(36),29,31-dodecaene-κ^6^<i>N</i>^3^,<i>N</i>^11^,<i>N</i>^19^,<i>N</i>^27^,<i>N</i>^33^,<i>N</i>^35^]dipalladium(II) bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate methanol disolvate |
|---|---|
| Formula | C44 H68 Cl4 N8 O12 Pd2 |
| Calculated formula | C44 H68 Cl4 N8 O12 Pd2 |
| SMILES | C1c2cccc3C[NH]4Cc5c(C)cc(c(c5C)C[NH]5Cc6cccc7C[NH](Cc8c(cc(c(c8C)C[NH]1[Pd]4([n]23)Cl)C)C)[Pd]5([n]67)Cl)C.N(C)(C)C=O.[O-]Cl(=O)(=O)=O.OC.N(C)(C)C=O.[O-]Cl(=O)(=O)=O.OC |
| Title of publication | Dichlorido[6,8,22,24,34,36-hexamethyl-33,35-diaza-3,11,19,27-tetraazoniapentacyclo[27.3.1.1^5,9^.1^13,17^.1^21,25^]hexatriaconta-1(33),5,7,9(34),13,15,17(35),21,23,25(36),29,31-dodecaene-κ^6^<i>N</i>^3^,<i>N</i>^11^,<i>N</i>^19^,<i>N</i>^27^,<i>N</i>^33^,<i>N</i>^35^]dipalladium(II) bis(perchlorate) <i>N</i>,<i>N</i>-dimethylformamide disolvate methanol disolvate |
| Authors of publication | Oda, Kohei; Funahashi, Yasuhiro; Masuda, Hideki |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 9 |
| Pages of publication | m520 - m521 |
| a | 10.917 ± 0.002 Å |
| b | 19.083 ± 0.004 Å |
| c | 12.705 ± 0.003 Å |
| α | 90° |
| β | 104.201 ± 0.002° |
| γ | 90° |
| Cell volume | 2565.9 ± 0.9 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181307 (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 2/23/85. |
2238510.cif 2238510.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. |
2238510.cif 2238510.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238510.cif 2238510.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238510.cif 2238510.hkl |
| 88647 | 2013-10-02 | cif/ Adding structures of 2238510 via cif-deposit CGI script. |
2238510.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.