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Information card for entry 4102695
Preview
| Coordinates | 4102695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C67 H58 O15 Si10 |
|---|---|
| Calculated formula | C67 H58 O15 Si10 |
| Title of publication | Nano Building Blocks via Iodination of [PhSiO1.5]n, Forming [p-I-C6H4SiO1.5]n (n = 8, 10, 12), and a New Route to High-Surface-Area, Thermally Stable, Microporous Materials via Thermal Elimination of I2 |
| Authors of publication | M. F. Roll; J. W. Kampf; Y. Kim; E. Yi; R. M. Laine |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 10171 - 10183 |
| a | 12.5377 ± 0.0009 Å |
| b | 24.6836 ± 0.0017 Å |
| c | 35.061 ± 0.002 Å |
| α | 72.706 ± 0.0001° |
| β | 80.434 ± 0.0001° |
| γ | 81.395 ± 0.0001° |
| Cell volume | 10157.9 ± 1.2 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1094 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4102695.cif |
| 178772 | 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 4/10/26. |
4102695.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102695.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102695.cif |
| 25597 | 2011-09-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4102695 via cif-deposit CGI script. |
4102695.cif |
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Users of the data should acknowledge the original authors of the
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