Information card for entry 4312292

Structure parameters

• Formula: C94 H134 Mn4 N12 O14
• Calculated formula: C83 H50 Mn4 N12 O14
• Title of publication: Three-Dimensional Helical Coordination Networks of a Hexanuclear Manganese Metallamacrocycle as a Helical Tecton
• Authors of publication: Dohyun Moon; Jiheh Song; Beom Jin Kim; Byoung Jin Suh; Myoung Soo Lah
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8230 - 8232
• a: 51.668 ± 0.005 Å
• b: 51.668 ± 0.005 Å
• c: 20.345 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 47036 ± 9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No