Information card for entry 7200266

Structure parameters

• Formula: C21 H18 Mn N2 O4
• Calculated formula: C21 H18 Mn N2 O4
• 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: 9.934 ± 0.011 Å
• b: 10.242 ± 0.011 Å
• c: 11.064 ± 0.012 Å
• α: 78.351 ± 0.012°
• β: 82.391 ± 0.013°
• γ: 67.257 ± 0.012°
• Cell volume: 1014.9 ± 1.9 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: 0.0532
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No