Information card for entry 7210661

Structure parameters

• Common name: Mn-bpy-mellitate
• Formula: C64 H52.17 Mn4 N8 O32.08
• Calculated formula: C64 H52 Mn4 N8 O32.088
• Title of publication: Synthesis, characterization, and magnetic studies of a series of metal‒mellitate coordination polymers
• Authors of publication: Li, Meng-Yuan; Sevov, Slavi C.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1225
• a: 15.7969 ± 0.0008 Å
• b: 20.9803 ± 0.0011 Å
• c: 20.0682 ± 0.001 Å
• α: 90°
• β: 96.453 ± 0.002°
• γ: 90°
• Cell volume: 6608.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No