Information card for entry 7227326

Structure parameters

• Chemical name: catena-[ bis(dimethylammonium) μ~8~-(((adamantane-1,3,5,7-tetrayl)‒tetra-(phen-4-yl))-tetracarboxylato)-manganese(II)]solvate with dimethylformamide and water
• Formula: C38 H28 Mn O8
• Calculated formula: C38 H28 Mn O8
• Title of publication: A view on systematic truncation of tetrahedral ligands for coordination polymers
• Authors of publication: Zhao, Tian; Heering, Christian; Boldog, Ishtvan; Domasevitch, Konstantin V.; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 5
• Pages of publication: 776
• a: 17.335 ± 0.003 Å
• b: 17.748 ± 0.002 Å
• c: 19.551 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6015.1 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.1334
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2883
• Weighted residual factors for all reflections included in the refinement: 0.3047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No