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Information card for entry 2231371
Preview
| Coordinates | 2231371.cif |
|---|---|
| Structure factors | 2231371.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,3,7,8,12,13,17,18-Octaethyl-5-phenyl-porphyrinato)platinum(II) |
|---|---|
| Formula | C42 H48 N4 Pt |
| Calculated formula | C42 H48 N4 Pt |
| SMILES | [Pt]123n4c5=Cc6[n]3c(=Cc3n2c(C=c2[n]1c(C(=c4c(c5CC)CC)c1ccccc1)c(c2CC)CC)c(c3CC)CC)c(c6CC)CC |
| Title of publication | (2,3,7,8,12,13,17,18-Octaethyl-5-phenylporphyrinato)platinum(II) |
| Authors of publication | Senge, Mathias O.; Richter, Julia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1077 |
| a | 17.1661 ± 0.0006 Å |
| b | 8.9301 ± 0.0003 Å |
| c | 22.8471 ± 0.0008 Å |
| α | 90° |
| β | 99.367 ± 0.001° |
| γ | 90° |
| Cell volume | 3455.6 ± 0.2 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181235 (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 2/23/13. |
2231371.cif 2231371.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. |
2231371.cif 2231371.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231371.cif 2231371.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. | 2231371.cif 2231371.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231371.cif 2231371.hkl |
| 27288 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231371 via cif-deposit CGI script. |
2231371.cif |
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Users of the data should acknowledge the original authors of the
structural data.