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Information card for entry 4320457
Preview
| Coordinates | 4320457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H24 Hg N8 |
|---|---|
| Calculated formula | C48 H24 Hg N8 |
| SMILES | [Hg]123n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(cc1)C#N)cc2)c1ccc(cc1)C#N)cc3)c1ccc(cc1)C#N)cc6)c1ccc(cc1)C#N |
| Title of publication | Mercury Complexes of meso-Tetra-(p-cyanophenyl)porphyrin and N-methylporphyrin: meso- Tetra(p-cyanophenyl)porphyrinatomercury(II) and Chloro(N-methyl-meso- tetraphenylporphyrinato)mercury(II) |
| Authors of publication | Ming-Cheng Wang; Long-Seen Sue; Bing-Chung Liau; Bao-Tsan Ko; Shanmugham Elango; Jyh-Horung Chen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 6064 - 6068 |
| a | 9.9688 ± 0.0011 Å |
| b | 12.6663 ± 0.0013 Å |
| c | 16.7828 ± 0.0017 Å |
| α | 71.756 ± 0.002° |
| β | 80.519 ± 0.002° |
| γ | 84.567 ± 0.002° |
| Cell volume | 1983 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0807 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.801 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179307 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/04. |
4320457.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320457.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320457.cif |
| 17653 | 2011-04-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4320457 via cif-deposit CGI script. |
4320457.cif |
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