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Information card for entry 4082462
Preview
| Coordinates | 4082462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C101 H94 Cl N9 O7 P4 Ru |
|---|---|
| Calculated formula | C101 H94 Cl N9 O7 P4 Ru |
| SMILES | [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)C#Cc1cc(cc(c1)C(=O)Nc1cccc(n1)NC(=O)CC(C)(C)C)C(=O)Nc1cccc(n1)NC(=O)CC(C)(C)C.c1ccccc1C#Cc1ccc(cc1)N1C(=O)NC(=O)NC1=O |
| Title of publication | Supramolecular Ruthenium‒Alkynyl Multicomponent Architectures: Engineering, Photophysical Properties, and Responsiveness to Nitroaromatics |
| Authors of publication | Gatri, Rafik; Ouerfelli, Ines; Efrit, Mohamed Lofti; Serein-Spirau, Françoise; Lère-Porte, Jean-Pierre; Valvin, Pierre; Roisnel, Thierry; Bivaud, Sébastien; Akdas-Kilig, Huriye; Fillaut, Jean-Luc |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 3 |
| Pages of publication | 665 |
| a | 32.632 ± 0.003 Å |
| b | 17.4273 ± 0.0013 Å |
| c | 43.302 ± 0.003 Å |
| α | 90° |
| β | 103.879 ± 0.002° |
| γ | 90° |
| Cell volume | 23906 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1489 |
| Residual factor for significantly intense reflections | 0.0803 |
| Weighted residual factors for significantly intense reflections | 0.2186 |
| Weighted residual factors for all reflections included in the refinement | 0.241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178713 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24. |
4082462.cif |
| 104411 | 2014-03-11 | cif/ Adding structures of 4082462 via cif-deposit CGI script. |
4082462.cif |
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