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Information card for entry 4071314
Preview
| Coordinates | 4071314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C149 H174 Cl6 N8 P4 Pd2 S4 |
|---|---|
| Calculated formula | C149 H174 Cl6 N8 P4 Pd2 S4 |
| SMILES | [Pd](Cl)(Cl)([P@@]1(C(=C(C)C)[C@@]23CCCC2=C1C(c1[nH]c(C(c2sc(C(c4[nH]c3cc4)(C)C)cc2)(C)C)cc1)(C)C)c1ccccc1)[P@@]1(C(=C(C)C)[C@@]23CCCC2=C1C(c1[nH]c(C(c2sc(C(c4[nH]c3cc4)(C)C)cc2)(C)C)cc1)(C)C)c1ccccc1.ClCCl.[Pd](Cl)(Cl)([P@]1(C(=C(C)C)[C@]23CCCC2=C1C(c1[nH]c(C(c2sc(C(c4[nH]c3cc4)(C)C)cc2)(C)C)cc1)(C)C)c1ccccc1)[P@]1(C(=C(C)C)[C@]23CCCC2=C1C(c1[nH]c(C(c2sc(C(c4[nH]c3cc4)(C)C)cc2)(C)C)cc1)(C)C)c1ccccc1.ClCCl |
| 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 | 14.0389 ± 0.001 Å |
| b | 15.8468 ± 0.0013 Å |
| c | 17.5829 ± 0.0011 Å |
| α | 88.576 ± 0.003° |
| β | 71.269 ± 0.002° |
| γ | 84.408 ± 0.002° |
| Cell volume | 3686.8 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
4071314.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071314.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071314.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. |
4071314.cif |
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Users of the data should acknowledge the original authors of the
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