Information card for entry 7102250

Structure parameters

• Common name: Manganese carboxylate
• Formula: C14 H10 Mn N0 O6
• Calculated formula: C14 H10 Mn O6
• Title of publication: The role of temperature on the structure and dimensionality of MOFs: an illustrative study of the formation of manganese oxy-bis(benzoate) structures.
• Authors of publication: Mahata, Partha; Sundaresan, A; Natarajan, Srinivasan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 4471 - 4473
• a: 14.399 ± 0.003 Å
• b: 6.3626 ± 0.0015 Å
• c: 7.3555 ± 0.0018 Å
• α: 90°
• β: 102.867 ± 0.004°
• γ: 90°
• Cell volume: 657 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No