Information card for entry 2205398

Structure parameters

• Chemical name: Poly[[[(1,10-phenanthroline)manganese(II)]-μ~3~-2-nitrobenzene-1,4- dicarboxylato] monohydrate]
• Formula: C20 H13 Mn N3 O7
• Calculated formula: C20 H13 Mn N3 O7
• Title of publication: Poly[[[(1,10-phenanthroline)manganese(II)]-μ~3~-2-nitrobenzene-1,4-dicarboxylato] monohydrate]
• Authors of publication: Zhu, Long-Guan; Xiao, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m769 - m771
• a: 18.515 ± 0.003 Å
• b: 9.927 ± 0.002 Å
• c: 20.948 ± 0.003 Å
• α: 90°
• β: 94.659 ± 0.003°
• γ: 90°
• Cell volume: 3837.5 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes