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Information card for entry 1565458
Preview
Coordinates | 1565458.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C87 H107 Cl5 Fe2 N15 O28.5 Zn3 |
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Calculated formula | C87 H104 Cl5 Fe2 N15 O28.5 Zn3 |
Title of publication | A new heteropentanuclear complex containing the [Fe2IIIZn3II(μ-OH)3] structural motif as a model for purple acid phosphatases |
Authors of publication | Maranha, Filipy Gobbo; dos Santos Silva, Graciela Aparecida; Bortoluzzi, Adailton J.; Nordlander, Ebbe; Peralta, Rosely A.; Neves, Ademir |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 502 |
Pages of publication | 119280 |
a | 14.4012 ± 0.0015 Å |
b | 44.515 ± 0.005 Å |
c | 16.5153 ± 0.0017 Å |
α | 90° |
β | 111.286 ± 0.001° |
γ | 90° |
Cell volume | 9865.2 ± 1.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.074 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1391 |
Weighted residual factors for all reflections included in the refinement | 0.145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1565458.html
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