Information card for entry 7046595

Structure parameters

• Formula: C10 H14 Mn N5 O2
• Calculated formula: C6 H5 Mn N4 O
• Title of publication: Synthesis and characterization of a flexible metal organic framework generated from Mn^III and the 4,4'-bipyrazolate-ligand.
• Authors of publication: Spirkl, S.; Grzywa, M.; Volkmer, D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 26
• Pages of publication: 8779 - 8786
• a: 12.911 ± 0.003 Å
• b: 14.712 ± 0.003 Å
• c: 6.6415 ± 0.0013 Å
• α: 90°
• β: 115.41 ± 0.03°
• γ: 90°
• Cell volume: 1139.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1899
• Residual factor for significantly intense reflections: 0.1269
• Weighted residual factors for significantly intense reflections: 0.3122
• Weighted residual factors for all reflections included in the refinement: 0.3406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No