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Information card for entry 7151890
Preview
| Coordinates | 7151890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C205 H292 N16 O P12 Pt6 |
|---|---|
| Calculated formula | C205 H292 N16 O P12 Pt6 |
| SMILES | [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2ccc(C=NCCN3CCN=Cc4ccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc5ccc(C=NCCN6CCN=Cc7ccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc8ccc(C=NCCN(CCN=Cc9ccc(C#C1)cc9)CCN=Cc1ccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc9ccc(C=NCCN(CCN=Cc%10ccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc%11ccc(C=NCC3)cc%11)cc%10)CCN=Cc3ccc(cc3)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc3ccc(cc3)C=NCC6)cc9)cc1)cc8)cc7)cc5)cc4)cc2.OC |
| Title of publication | Changing the volume of a giant macrocycle: the swelling of the macrocycle with organic solvents. |
| Authors of publication | Harano, Aya; Tanaka, Minako; Nakagaki, Takeshi; Annaka, Masahiko; Ideta, Keiko; Goto, Kenta; Shinmyozu, Teruo |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 3611 - 3614 |
| a | 21.913 ± 0.003 Å |
| b | 23.156 ± 0.003 Å |
| c | 23.85 ± 0.004 Å |
| α | 93.385 ± 0.006° |
| β | 108.751 ± 0.006° |
| γ | 95.706 ± 0.005° |
| Cell volume | 11349 ± 3 Å3 |
| Cell temperature | 133 K |
| Ambient diffraction temperature | 133 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0888 |
| Weighted residual factors for all reflections included in the refinement | 0.2755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180304 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/18. |
7151890.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151890.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151890.cif |
| 21438 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151890 via cif-deposit CGI script. |
7151890.cif |
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