Information card for entry 4500993

Structure parameters

• Formula: C50 H104 Mn2 N2 O25
• Calculated formula: C18 H6 Mn2 O12
• Title of publication: Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology
• Authors of publication: Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2717
• a: 23.4246 ± 0.0006 Å
• b: 23.4246 ± 0.0006 Å
• c: 21.3264 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11702 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :1
• Hall space group symbol: I 4bw 2aw -1bw
• Residual factor for all reflections: 0.1509
• Residual factor for significantly intense reflections: 0.1252
• Weighted residual factors for significantly intense reflections: 0.3471
• Weighted residual factors for all reflections included in the refinement: 0.3675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No