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Information card for entry 4071311
Preview
| Coordinates | 4071311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H90 Cl6 N4 P2 Pt S2 |
|---|---|
| Calculated formula | C76 H90 Cl6 N4 P2 Pt S2 |
| SMILES | [Pt](Cl)(Cl)([P]1(C2=C3CCCC3=C1C(c1[nH]c(C(c3sc(C(c4[nH]c(C2(C)C)cc4)(C)C)cc3)(C)C)cc1)(C)C)c1ccccc1)[P]1(C2=C3CCCC3=C1C(c1[nH]c(C(c3sc(C(c4[nH]c(C2(C)C)cc4)(C)C)cc3)(C)C)cc1)(C)C)c1ccccc1.ClCCl.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 | 12.9763 ± 0.0017 Å |
| b | 16.01 ± 0.002 Å |
| c | 19.146 ± 0.003 Å |
| α | 81.601 ± 0.005° |
| β | 83.493 ± 0.006° |
| γ | 70.065 ± 0.004° |
| Cell volume | 3690.5 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0485 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
4071311.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071311.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071311.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. |
4071311.cif |
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Users of the data should acknowledge the original authors of the
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