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Information card for entry 7709204
Preview
| Coordinates | 7709204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H120 Cl8 Cs K N20 O22 Ru3 Sn2 |
|---|---|
| Calculated formula | C128 H116 Cl6 Cs K N20 O22 Ru3 Sn2 |
| SMILES | [Cs]12345[O]6CCN7CC[O]2CC[O]3CCN(CC[O]1CC6)CC[O]5CC[O]4CC7.[Sn]123([Ru]4([Ru]([Sn]567[n]8c9=Nc%10n7c(N=c7[n]6c(N=c6n5c(=Nc8c5c9cccc5)c5ccccc65)c5ccccc75)c5ccccc%105)([Ru]4(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])n4c5=Nc6[n]3c(=Nc3n2c(N=c2[n]1c(N=c4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61.[K]12345[O]6CCN7CC[O]2CC[O]3CCN(CC[O]1CC6)CC[O]5CC[O]4CC7.Clc1c(Cl)cccc1.Clc1c(Cl)cccc1.Clc1c(Cl)cccc1 |
| Title of publication | Complexes of transition metal carbonyl clusters with tin(II) phthalocyanine in neutral and radical anion states: methods of synthesis, structures and properties |
| Authors of publication | Romanenko, Nikita R.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Faraonov, Maxim A.; Yudanova, Evgeniya I.; Nakano, Yoshiaki; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 26.2701 ± 0.0004 Å |
| b | 22.9467 ± 0.0005 Å |
| c | 22.6093 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13629.2 ± 0.4 Å3 |
| Cell temperature | 101 ± 2 K |
| Ambient diffraction temperature | 101 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.117 |
| Residual factor for significantly intense reflections | 0.0882 |
| Weighted residual factors for significantly intense reflections | 0.2218 |
| Weighted residual factors for all reflections included in the refinement | 0.2455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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 |
|---|---|---|---|
| 271648 (current) | 2021-12-30 | cif/ Adding structures of 7709200, 7709201, 7709202, 7709203, 7709204, 7709205 via cif-deposit CGI script. |
7709204.cif |
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