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Information card for entry 7034039
Preview
| Coordinates | 7034039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H60 F12 N10 O P2 Ru |
|---|---|
| Calculated formula | C42 H60 F12 N10 O P2 Ru |
| SMILES | [Ru]1234([n]5c(N6C=1N(C=C6)C(C)(C)C)cccc5N1C=2N(C=C1)C(C)(C)C)[n]1c(N2C=3N(C=C2)C(C)(C)C)cccc1N1C=4N(C=C1)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC |
| Title of publication | Fixation of atmospheric carbon dioxide by ruthenium complexes bearing an NHC-based pincer ligand: formation of a methylcarbonato complex and its methylation. |
| Authors of publication | Arikawa, Yasuhiro; Nakamura, Takuo; Ogushi, Shinji; Eguchi, Kazushige; Umakoshi, Keisuke |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 12 |
| Pages of publication | 5303 - 5305 |
| a | 12.6737 ± 0.0016 Å |
| b | 19.858 ± 0.003 Å |
| c | 20.062 ± 0.003 Å |
| α | 83.598 ± 0.005° |
| β | 80.72 ± 0.004° |
| γ | 81.683 ± 0.004° |
| Cell volume | 4910.5 ± 1.2 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.18 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180046 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40. |
7034039.cif |
| 135018 | 2015-04-06 | cif/ Updating files of 7034038, 7034039, 7034040, 7034041, 7034042 Original log message: Adding full bibliography for 7034038--7034042.cif. |
7034039.cif |
| 131817 | 2015-02-13 | cif/ Adding structures of 7034038, 7034039, 7034040, 7034041, 7034042 via cif-deposit CGI script. |
7034039.cif |
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Users of the data should acknowledge the original authors of the
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