Information card for entry 7210662

Structure parameters

• Common name: (Mn2(H2mel)(phen)2(H2O)2)
• Formula: C72 H44 Mn4 N8 O28
• Calculated formula: C72 H44 Mn4 N8 O28
• 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: 9.0764 ± 0.0003 Å
• b: 21.9597 ± 0.0008 Å
• c: 16.5364 ± 0.0006 Å
• α: 90°
• β: 94.617 ± 0.002°
• γ: 90°
• Cell volume: 3285.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No