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Information card for entry 4064988
Preview
| Coordinates | 4064988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H41 N5 O2 |
|---|---|
| Calculated formula | C31 H41 N5 O2 |
| Title of publication | Tetrapalladium(II) Bisazobenzene and Azoazoxybenzene Complexes: Syntheses, Electronic Structures, and Optical Properties |
| Authors of publication | Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 18 |
| Pages of publication | 4910 |
| a | 5.6665 ± 0.0009 Å |
| b | 9.3701 ± 0.0014 Å |
| c | 27.18 ± 0.004 Å |
| α | 82.75 ± 0.003° |
| β | 87.528 ± 0.003° |
| γ | 75.106 ± 0.003° |
| Cell volume | 1383.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1197 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.777 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4064988.cif |
| 178543 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49. |
4064988.cif |
| 114154 | 2014-05-22 | cif/ Updating files of 4064987, 4064988, 4064989 Original log message: Adding full bibliography for 4064987--4064989.cif. |
4064988.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064988.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064988.cif |
| 33124 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064987, 4064988, 4064989 via cif-deposit CGI script. |
4064988.cif |
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Users of the data should acknowledge the original authors of the
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