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Information card for entry 4106112
Preview
Coordinates | 4106112.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C224 H248 Cl60 N28 O24 Ru12 |
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Calculated formula | C214 H238 Cl30 N28 O24 Ru12 |
SMILES | C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.N12CCN=Cc3cc[n]4c5c3O[Ru]36789([cH]%10[c]3([cH]6[c]7([cH]8[c]9%10C)C)C)([n]3ccc6c7c3O[Ru]389%10%11([cH]%12[c]3([cH]8[c]9([cH]%10[c]%11%12C)C)C)([n]3ccc(c8c3O[Ru]39%10%11%124([cH]4[c]%12([cH]%11[c]%10([cH]9[c]34C)C)C)O8)C=NCCN3CCN=Cc4cc[n]8c9c4O[Ru]4%10%11%12%13([cH]%14[c]4([cH]%10[c]%11([cH]%12[c]%13%14C)C)C)([n]4ccc(c%10c4O[Ru]4%11%12%13%14([cH]%15[c]4([cH]%11[c]%12([cH]%13[c]%14%15C)C)C)([n]4ccc(c%11c4O[Ru]4%12%13%14%158([cH]8[c]%15([cH]%14[c]%13([cH]%12[c]48C)C)C)O%11)C=NCC2)O%10)C=NCCN2CCN=Cc4cc[n]8c%10c4O[Ru]4%11%12%13%14([cH]%15[c]4([cH]%11[c]%12([cH]%13[c]%14%15C)C)C)([n]4ccc(c%11c4O[Ru]4%12%13%14%15([cH]%16[c]%15([cH]%14[c]%13([cH]%12[c]4%16C)C)C)([n]4ccc(c%12c4O[Ru]4%13%14%15%168([cH]8[c]%16([cH]%15[c]%14([cH]%13[c]48C)C)C)O%12)C=NCCN(CCN=Cc4cc[n]8c%12c4O[Ru]4%13%14%15%16([cH]%17[c]4([cH]%13[c]%14([cH]%15[c]%16%17C)C)C)([n]4ccc(c%13c4O[Ru]4%14%15%16%17([cH]%18[c]%17([cH]%16[c]%15([cH]%14[c]4%18C)C)C)([n]4ccc(c%14c4O[Ru]4%15%16%17%188([cH]8[c]%18([cH]%17[c]%16([cH]%15[c]48C)C)C)O%14)C=NCC2)O%13)C=NCC1)O%12)CCN=C6)O%11)C=NCC3)O%10)O9)O7)O5.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages |
Authors of publication | Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 7106 - 7115 |
a | 32.975 ± 0.003 Å |
b | 43.449 ± 0.009 Å |
c | 27.608 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 39555 ± 11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 54 |
Hermann-Mauguin space group symbol | P c c a |
Hall space group symbol | -P 2a 2ac |
Residual factor for all reflections | 0.1974 |
Residual factor for significantly intense reflections | 0.1557 |
Weighted residual factors for significantly intense reflections | 0.3628 |
Weighted residual factors for all reflections included in the refinement | 0.3772 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.233 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106112.html
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