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Information card for entry 1536880
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Coordinates | 1536880.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 9 |
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Formula | C76 H96 N2 O8 Zn2 |
Calculated formula | C76 H96 N2 O8 Zn2 |
SMILES | [Zn]12(Oc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)[n]1ccc(cc1)/C=C/c1ccc(/C=C/c2cc[n]([Zn]34(Oc5c(cc(cc5O3)C(C)(C)C)C(C)(C)C)Oc3c(O4)c(cc(c3)C(C)(C)C)C(C)(C)C)cc2)cc1 |
Title of publication | Redox-promoted associative assembly of metal‒organic materials |
Authors of publication | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 1 |
Pages of publication | 707 |
a | 12.617 ± 0.003 Å |
b | 18.443 ± 0.004 Å |
c | 15.543 ± 0.003 Å |
α | 90° |
β | 102.81 ± 0.03° |
γ | 90° |
Cell volume | 3526.8 ± 1.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.2124 |
Residual factor for significantly intense reflections | 0.1127 |
Weighted residual factors for significantly intense reflections | 0.301 |
Weighted residual factors for all reflections included in the refinement | 0.3719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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