Information card for entry 8106787

Structure parameters

• Formula: C12 H12 Mn N4 O6
• Calculated formula: C12 H12 Mn N4 O6
• Title of publication: Crystal structure of the catena-poly[bis(1H-imidazole-κN)-(μ2-furan-2,5-dicarboxylato-κ2 O 1:O 4)manganese(II)]monohydrate, C12H12MnN4O6
• Authors of publication: Wang, Yuan-Rui; Gao, Wen-Yuan; Li, Ya-Feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 69 - 70
• a: 8.1583 ± 0.0016 Å
• b: 16.525 ± 0.003 Å
• c: 13.134 ± 0.003 Å
• α: 90°
• β: 117.96 ± 0.03°
• γ: 90°
• Cell volume: 1564 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No