Information card for entry 4325354

Structure parameters

• Formula: C30 H51 Bi2 Mn6 N3 O38
• Calculated formula: C30 H51 Bi2 Mn6 N3 O38
• SMILES: [Mn]12345[O]=C(O[Mn]678([O]91[Bi]1%10%11%12%13([O]6[Mn]6%14%15([O]=C(O7)CC)OC(=[O][Mn]7%16%17([O]%10[Mn]%10%18%19([O]=C(O%16)CC)[O]%17[Bi]%16%179([O]%1167)([O]8%15)([O]%12%10[Mn]([O]=C(O%18)CC)(OC(=[O]%19)CC)([O]=C(O3)CC)(O4)[OH]5%13)(ON(=[O]%16)=O)[O]=N(=O)O%17)[O]=C(O%14)CC)CC)(OC(=O)CC)ON(=[O]1)=O)[O]=C(O2)CC)CC
• Title of publication: Synthetic Entry into Polynuclear Bismuth-Manganese Chemistry: High Oxidation State BiIII2MnIV6 and BiIIIMnIII10 Complexes
• Authors of publication: Theocharis C. Stamatatos; Katie Oliver; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5272 - 5282
• a: 12.5042 ± 0.0014 Å
• b: 23.884 ± 0.003 Å
• c: 17.9 ± 0.002 Å
• α: 90°
• β: 94.77 ± 0.002°
• γ: 90°
• Cell volume: 5327.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No