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Information card for entry 7038413
Preview
Coordinates | 7038413.cif |
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Original paper (by DOI) | HTML |
Formula | C75 H66 Cl0.8 Fe0.95 Mn2.45 N12 O13.2 |
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Calculated formula | C75 H66 Cl0.8 Fe0.95 Mn2.45 N12 O13.2 |
Title of publication | Site-specific metal and ligand substitutions in a microporous Mn(2+)-based metal-organic framework. |
Authors of publication | Huxley, Michael; Coghlan, Campbell J.; Burgun, Alexandre; Tarzia, Andrew; Sumida, Kenji; Sumby, Christopher J.; Doonan, Christian J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 10 |
Pages of publication | 4431 - 4438 |
a | 12.345 ± 0.003 Å |
b | 33.257 ± 0.007 Å |
c | 12.934 ± 0.003 Å |
α | 90° |
β | 96.66 ± 0.03° |
γ | 90° |
Cell volume | 5274 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.1147 |
Residual factor for significantly intense reflections | 0.1036 |
Weighted residual factors for significantly intense reflections | 0.2907 |
Weighted residual factors for all reflections included in the refinement | 0.2994 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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