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Information card for entry 4346667
Preview
| Coordinates | 4346667.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C110 H87 Cl7 Mo N18 Na O8 Sn2 |
|---|---|
| Calculated formula | C110 H87 Cl7 Mo N18 Na O8 Sn2 |
| SMILES | [Mo]1234([Sn]567[n]8c9c%10ccccc%10c8=Nc8c%10c(c(N=c%11c%12c(c(N=c%13c%14c(cccc%14)c(=N9)n5%13)[n]6%11)cccc%12)n78)cccc%10)([Sn]567[n]8c9c%10c(c8=Nc8c%11c(c(N=c%12c%13c(c(N=c%14c%15ccccc%15c(=N9)[n]5%14)[n]6%12)cccc%13)n78)cccc%11)cccc%10)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.c1(c(cccc1)Cl)Cl.c1(Cl)ccccc1Cl.c1(c(cccc1)Cl)Cl.c1(c(Cl)cccc1)Cl.C1C[O]2[Na]345678[O](CC[N]59CC[O]6CC[O]4CC[N]17CC[O]8CC[O]3CC9)CC2 |
| Title of publication | Coordination Complexes of Transition Metals (M = Mo, Fe, Rh, and Ru) with Tin(II) Phthalocyanine in Neutral, Monoanionic, and Dianionic States. |
| Authors of publication | Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Faraonov, Maxim A.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 1390 - 1402 |
| a | 17.0023 ± 0.0004 Å |
| b | 17.4314 ± 0.0005 Å |
| c | 17.7859 ± 0.0003 Å |
| α | 85.695 ± 0.002° |
| β | 88.189 ± 0.002° |
| γ | 77.512 ± 0.002° |
| Cell volume | 5131.4 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1143 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1455 |
| Weighted residual factors for all reflections included in the refinement | 0.1779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231912 (current) | 2019-11-23 | cif/ Adding structures of 4346663, 4346664, 4346665, 4346666, 4346667, 4346668, 4346669 via cif-deposit CGI script. |
4346667.cif |
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Users of the data should acknowledge the original authors of the
structural data.