Information card for entry 8102713

Structure parameters

• Formula: C22 H24 Mn N2 O5
• Calculated formula: C22 H24 Mn N2 O5
• Title of publication: Crystal structure of (2,2'-bipyridine)(adamantane-1,3-dicarboxylato)manganese(II) hydrate, Mn(C10H8N2)(C12H14O4) · H2O
• Authors of publication: Jian-Qiang Liu; Tie Wu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 483
• a: 9.597 ± 0.002 Å
• b: 10.825 ± 0.002 Å
• c: 11.445 ± 0.003 Å
• α: 63.137 ± 0.003°
• β: 70.425 ± 0.004°
• γ: 77.851 ± 0.003°
• Cell volume: 996.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No