Information card for entry 4320435

Structure parameters

• Chemical name: mu-1,5-dimethyl-3-(4,6-dimethyl-2-pyrimidinyl)-6-oxoverdazyl- bis(bis(1,1,1,3,3,3-hexafluoroacetylacetonato)manganese(II))
• Formula: C30 H17 F24 Mn2 N6 O9
• Calculated formula: C30 H17 F24 Mn2 N6 O9
• SMILES: c1c(C)[n]2c3C4=[N](N(C(=O)N(C)N4[Mn]45([n]3c1C)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]5)C(F)(F)F)C(F)(F)F)C)[Mn]132(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Synthesis, Structure, and Magnetism of Bimetallic Manganese or Nickel Complexes of a Bridging Verdazyl Radical
• Authors of publication: Tosha M. Barclay; Robin G. Hicks; Martin T. Lemaire; Laurence K. Thompson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5581 - 5584
• a: 20.047 ± 0.003 Å
• b: 17.143 ± 0.003 Å
• c: 16.276 ± 0.003 Å
• α: 90°
• β: 123.748 ± 0.003°
• γ: 90°
• Cell volume: 4650.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.2166
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No