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Information card for entry 7046345
Preview
Coordinates | 7046345.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H26 N4 O8 Zn |
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Calculated formula | C22 H26 N4 O8 Zn |
Title of publication | Peptide metal-organic frameworks under pressure: flexible linkers for cooperative compression. |
Authors of publication | Navarro-Sánchez, José; Mullor-Ruíz, Ismael; Popescu, Catalin; Santamaría-Pérez, David; Segura, Alfredo; Errandonea, Daniel; González-Platas, Javier; Martí-Gastaldo, Carlos |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2018 |
Journal volume | 47 |
Journal issue | 31 |
Pages of publication | 10654 - 10659 |
a | 7.1762 ± 0.0014 Å |
b | 5.2148 ± 0.0008 Å |
c | 26.07 ± 0.05 Å |
α | 90° |
β | 99.05 ± 0.06° |
γ | 90° |
Cell volume | 963.5 ± 1.9 Å3 |
Cell temperature | 298 ± 1 K |
Ambient diffraction temperature | 298 ± 1 K |
Ambient diffracton pressure | 3210000 ± 40000 kPa |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | I 1 2 1 |
Hall space group symbol | I 2y |
Residual factor for all reflections | 0.0857 |
Residual factor for significantly intense reflections | 0.0671 |
Weighted residual factors for significantly intense reflections | 0.1622 |
Weighted residual factors for all reflections included in the refinement | 0.177 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.3185 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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