Information card for entry 7200267

Structure parameters

• Formula: C62 H62 Mn3 N4 O20
• Calculated formula: C62 H62 Mn3 N4 O20
• Title of publication: Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands
• Authors of publication: Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 109
• a: 9.8326 ± 0.0013 Å
• b: 10.929 ± 0.0015 Å
• c: 16.539 ± 0.002 Å
• α: 71.419 ± 0.002°
• β: 79.114 ± 0.002°
• γ: 70.648 ± 0.001°
• Cell volume: 1582.6 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No