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Information card for entry 7045033
Preview
Coordinates | 7045033.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H30 F6 N7 O7 P S2 Zn |
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Calculated formula | C29 H30 F6 N7 O7 P S2 Zn |
SMILES | c1(C)[n]2c(cc(n1)N(C)/N=C/c1c(c(cp1c1ccccc1)C)C)N(C)[N]1=Cc3cccc4C[OH][Zn]21([n]34)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
Title of publication | Supramolecular self-assembly of heterobimetallic complexes: a new N,P-based, selective heteroditopic ligand. |
Authors of publication | Hutchinson, Daniel John; Clauss, Reike; Sárosi, Menyhárt-Botond; Hey-Hawkins, Evamarie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 4 |
Pages of publication | 1053 - 1061 |
a | 20.0495 ± 0.0004 Å |
b | 20.173 ± 0.0004 Å |
c | 17.8536 ± 0.0004 Å |
α | 90° |
β | 103.526 ± 0.002° |
γ | 90° |
Cell volume | 7020.8 ± 0.3 Å3 |
Cell temperature | 130.05 ± 0.1 K |
Ambient diffraction temperature | 130.05 ± 0.1 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0585 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.1089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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