Information card for entry 2243406

Structure parameters

• Chemical name: Poly[bis(μ~3~-3,4-diaminobenzoato-κ^3^<i>N</i>^3^,<i>O</i>,<i>O</i>')manganese(II)]
• Formula: C14 H14 Mn N4 O4
• Calculated formula: C14 H14 Mn N4 O4
• Title of publication: Hydrothermal synthesis and crystal structure of poly[bis(μ~3~-3,4-diaminobenzoato)manganese], a layered coordination polymer
• Authors of publication: Khosa, Muhammad Kaleem; Wood, Paul T.; Humphrey, Simon M.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 909 - 913
• a: 11.5171 ± 0.0005 Å
• b: 4.4212 ± 0.0002 Å
• c: 13.9752 ± 0.0007 Å
• α: 90°
• β: 104.698 ± 0.003°
• γ: 90°
• Cell volume: 688.32 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes