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Information card for entry 2239657
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| Coordinates | 2239657.cif |
|---|---|
| Structure factors | 2239657.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)antimony(V) hexachloridoantimonate(V) |
|---|---|
| Formula | C44 H28 Cl8 N4 Sb2 |
| Calculated formula | C44 H28 Cl8 N4 Sb2 |
| SMILES | c12=C(c3ccc4C(=c5ccc6[n]5[Sb]5([n]2c(cc1)C(=c1ccc(=C6c2ccccc2)n51)c1ccccc1)(Cl)(n34)Cl)c1ccccc1)c1ccccc1.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl |
| Title of publication | Dichlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)antimony(V) hexachloridoantimonate(V) |
| Authors of publication | Soury, Raoudha; Belkhiria, Mohamed Salah; Giorgi, Michel; Nasri, Habib |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m256 - m257 |
| a | 10.2044 ± 0.0004 Å |
| b | 11.1242 ± 0.0004 Å |
| c | 11.3901 ± 0.0004 Å |
| α | 70.685 ± 0.002° |
| β | 83.398 ± 0.002° |
| γ | 63.05 ± 0.003° |
| Cell volume | 1086.73 ± 0.08 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1693 |
| Weighted residual factors for all reflections included in the refinement | 0.1726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239657.cif 2239657.hkl |
| 181315 | 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 2/23/96. |
2239657.cif 2239657.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. |
2239657.cif 2239657.hkl |
| 116407 | 2014-06-11 | cif/ hkl/ Adding structures of 2239657 via cif-deposit CGI script. |
2239657.cif 2239657.hkl |
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