Information card for entry 4327239

Structure parameters

• Formula: C24 H24 B2 F6 Mn N16 Sb
• Calculated formula: C24 H24 B2 F6 Mn N16 Sb
• SMILES: [B]12(n3ccc[n]3[Mn]34([n]5cccn15)([n]1cccn21)[n]1cccn1[B](n1ccc[n]31)(n1ccc[n]41)n1nccc1)n1nccc1.F[Sb](F)(F)(F)([F-])F
• Title of publication: Synthesis, Structure, and Properties of Low-Spin Manganese(III)-Poly(pyrazolyl)borate Complexes
• Authors of publication: Ferdaus Hossain; Matthew A. Rigsby; Cole T. Duncan; Paul L. Milligan; Richard L. Lord; Mu-Hyun Baik; Franklin A. Schultz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2596 - 2603
• a: 17.4593 ± 0.0016 Å
• b: 20.0737 ± 0.0018 Å
• c: 10.2596 ± 0.0009 Å
• α: 90°
• β: 118.728 ± 0.002°
• γ: 90°
• Cell volume: 3153.1 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No