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Information card for entry 4071312
Preview
| Coordinates | 4071312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H86 Cl2 N4 P2 Pt S2 |
|---|---|
| Calculated formula | C74 H86 Cl2 N4 P2 Pt S2 |
| SMILES | [Pt](Cl)(Cl)([P]1(C2=C3CCCC3=C1C(C)(C)c1[nH]c(cc1)C(C)(C)c1sc(cc1)C(C)(C)c1[nH]c(cc1)C2(C)C)c1ccccc1)[P]1(C2=C3CCCC3=C1C(C)(C)c1[nH]c(cc1)C(C)(C)c1sc(cc1)C(C)(C)c1[nH]c(cc1)C2(C)C)c1ccccc1 |
| Title of publication | Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles |
| Authors of publication | Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3142 |
| a | 17.7327 ± 0.0018 Å |
| b | 15.9055 ± 0.0017 Å |
| c | 24.023 ± 0.003 Å |
| α | 90° |
| β | 90.823 ± 0.002° |
| γ | 90° |
| Cell volume | 6774.9 ± 1.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0631 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178602 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/13. |
4071312.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071312.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071312.cif |
| 43143 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071307, 4071308, 4071309, 4071310, 4071311, 4071312, 4071313, 4071314 via cif-deposit CGI script. |
4071312.cif |
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