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Information card for entry 4109957
Preview
| Coordinates | 4109957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H92 Cu F12 N4 P2 Ru4 |
|---|---|
| Calculated formula | C68 H92 Cu F12 N4 P2 Ru4 |
| SMILES | [c]123C([c]45[cH]6[cH]7[c]89C([c]%10%11[cH]%12[cH]%13[c]%14%15[n]%10([Cu]%10([n]%162[c]2([cH]%17[cH]1[Ru]1%18%19%203%162%17[c]2([c]1([c]%18([c]%19([c]%202C)C)C)C)C)C([c]12[cH]3[cH]%16[c]%17(C%14(C)C)[n]%101[Ru]1%10%14%1823%16%17[c]2([c]1([c]%10([c]%14([c]%182C)C)C)C)C)(C)C)[n]48[Ru]12345679[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)[Ru]1234%11%12%13%15[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C)C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Design and Synthesis of Polymetallic Complexes Based on meso-Calix[4]pyrrole: Platforms for Multielectron Chemistry |
| Authors of publication | Luciano Cuesta; Dustin Gross; Vincent M. Lynch; Zhongping Ou; Wiroaj Kajonkijya; Kei Ohkubo; Shunichi Fukuzumi; Karl M. Kadish; Jonathan L. Sessler |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 11696 - 11697 |
| a | 24.456 ± 0.005 Å |
| b | 11.441 ± 0.002 Å |
| c | 25.36 ± 0.005 Å |
| α | 90° |
| β | 110.31 ± 0.03° |
| γ | 90° |
| Cell volume | 6655 ± 3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.2704 |
| Residual factor for significantly intense reflections | 0.1165 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.1824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.48 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178845 (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 4/10/99. |
4109957.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109957.cif |
| 58736 | 2012-05-30 | cif/ Adding structures of 4109957 via cif-deposit CGI script. |
4109957.cif |
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Users of the data should acknowledge the original authors of the
structural data.