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Information card for entry 4109096
Preview
| Coordinates | 4109096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C158 H196 Cl2 N8 O10 P8 Pt4 |
|---|---|
| Calculated formula | C164 H174 Cl8 N4 O20 P8 Pt4 |
| SMILES | c1c2cc3c(ccc4ccc(cc34)[Pt]([n]3ccc(cc3)C#Cc3cc(C#Cc4ccc(cc4)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c4ccc5ccc6ccc(cc6c5c4)[Pt]([n]4ccc(C#Cc5cc(C#Cc6ccc(cc6)[Pt]2([P](CC)(CC)CC)[P](CC)(CC)CC)cc(OCc2cc(OCc6ccccc6)cc(OCc6ccccc6)c2)c5)cc4)([P](CC)(CC)CC)[P](CC)(CC)CC)cc(OCc2cc(OCc4ccccc4)cc(OCc4ccccc4)c2)c3)([P](CC)(CC)CC)[P](CC)(CC)CC)c1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.C(Cl)Cl.C(Cl)Cl.O.O.O.O.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Coordination-Driven Self-Assembly of Metallodendrimers Possessing Well-Defined and Controllable Cavities as Cores |
| Authors of publication | Hai-Bo Yang; Adam M. Hawkridge; Songping D. Huang; Neeladri Das; Scott D. Bunge; David C. Muddiman; Peter J. Stang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 2120 - 2129 |
| a | 14.111 ± 0.003 Å |
| b | 14.348 ± 0.003 Å |
| c | 26.476 ± 0.005 Å |
| α | 79.705 ± 0.003° |
| β | 78.901 ± 0.003° |
| γ | 76.468 ± 0.003° |
| Cell volume | 5063.7 ± 1.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.1652 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.2211 |
| Weighted residual factors for all reflections included in the refinement | 0.2695 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178836 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/90. |
4109096.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109096.cif |
| 57848 | 2012-05-22 | cif/ Adding structures of 4109096 via cif-deposit CGI script. |
4109096.cif |
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Users of the data should acknowledge the original authors of the
structural data.